SCHEMBL5212985

SCHEMBL5212985

Cn1c(/C=N/O)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
ALDH1A1 P00352 9/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 1/20 0.62
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
MAPT P10636 6/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
KMT2A Q03164 3/20 0.58
PKM P14618 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 3/20 0.57
POLB P06746 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53

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
SCHEMBL5212990 1.00 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL12460834 0.84 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL813793 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL813928 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL813985 0.79 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL11699121 0.78 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL102893 0.78 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL813918 0.77 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL17254599 0.76 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10TP53
SCHEMBL813845 0.76 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10TP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
EP-1585743-B1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER (US) 2007-05-23 EP disclosed
EP-1585743-B1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER (US) 2007-05-23 EP disclosed
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS INC. 2006-07-20 US disclosed
US-7053107-B2 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1585743-A1 2-(1H-INDAZOL-6-YLAMINO)- BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTHALMIC DISEASES PFIZER INC. (US) 2005-10-19 EP disclosed
US-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-30 US disclosed
WO-2004056806-A1 2-(1H-INDAZOL-6-YLAMINO)-BENZAMIDE COMPOUNDS AS PROTEIN KINASES INHIBITORS USEFUL FOR THE TREATMENT OF OPHTALMIC DISEASES PFIZER INC. (US) 2004-07-08 WO 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 (2 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-20040192735-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDM4E 2405/4885ALDH1A1 2794/4885HPGD 1080/4885
US-20060160858-A1 Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use CDK3, BRAF, CNKSR1 KDM4E 2405/4885ALDH1A1 2794/4885HPGD 1080/4885

“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.