SCHEMBL3469723

SCHEMBL3469723

Cc1ccc2c(C)nc(NC(=N)N)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
KDM4E B2RXH2 5/20 0.58
ALOX12 P18054 2/20 0.55
ALDH1A1 P00352 8/20 0.52
MAPT P10636 8/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 10/20 0.51
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPY2R P49146 1/20 0.44
HPGD P15428 1/20 0.43
CREBBP Q92793 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3470444 0.88 KDM4E (0.58) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL24029264 0.85 MPO (0.55) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL7055279 0.85 MPO (0.55) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL24029263 0.85 MPO (0.55) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL6183774 0.84 KMT2A (0.51) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL7058413 0.83 KMT2A (0.43) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL23009236 0.83 KMT2A (0.43) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL2459826 0.83 NPSR1 (0.61) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL7056204 0.83 LMNA (0.50) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL31320223 0.83 NPSR1 (0.61) KMT2AMEN1KDM4EALOX12ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY THE WISTAR INSTITUTE (US) 2016-03-10 US disclosed
US-9234230-B2 Screening method and compounds for modulating telomerase activity THE WISTAR INSTITUTE (US) 2016-01-12 US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 US disclosed
US-8518940-B2 FP-pocket-binding effectors and methods for using the same to modulate telomerase activity THE WISTAR INSTITUTE (US) 2013-08-27 US disclosed
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity THE WISTAR INSTITUTE (US) 2012-12-06 US disclosed
WO-2011085129-A2 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT ERRICO JOSEPH P 2011-07-14 WO disclosed
CN-101080224-B Composition for treating pain and application thereof LIMERICK NEUROSCIENCE INC 2011-03-30 CN disclosed
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity THE WISTAR INSTITUTE 2010-06-24 US disclosed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
CN-101080224-A Methods and compositions for treating pain LIMERICK NEUROSCIENCE INC (US) 2007-11-28 CN disclosed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed
US-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 KMT2A 3667/4885MEN1 3121/4885KDM4E 3370/4885
US-20120309759-A1 Screening Method and Compounds for Modulating Telomerase Activity TERT, TERB1, TERF2 KMT2A 2921/4885MEN1 3807/4885KDM4E 2189/4885
US-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 KMT2A 2310/4885MEN1 4788/4885KDM4E 4560/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA KMT2A 322/4885MEN1 261/4885KDM4E 308/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 KMT2A 555/4885MEN1 294/4885KDM4E 251/4885
US-20100158798-A1 FP-Pocket-Binding Effectors and Methods for Using the Same to Modulate Telomerase Activity TERF2IP, TERF2, TERT KMT2A 2483/4885MEN1 2732/4885KDM4E 2087/4885
US-20160067257-A1 SCREENING METHOD AND COMPOUNDS FOR MODULATING TELOMERASE ACTIVITY TERT, TERB1, TERF2 KMT2A 2921/4885MEN1 3807/4885KDM4E 2189/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 KMT2A 949/4885MEN1 237/4885KDM4E 419/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT KMT2A 665/4885MEN1 455/4885KDM4E 1258/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KMT2A 3563/4885MEN1 3885/4885KDM4E 3447/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.