SCHEMBL10022384

SCHEMBL10022384

CC(C)c1ccc(-c2nnc(N)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 1.00
RAB9A P51151 7/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
NPC1 O15118 4/20 1.00
HPGD P15428 2/20 1.00
ALDH1A1 P00352 5/20 0.65
MGAM O43451 5/20 0.65
GAA P10253 5/20 0.65
SI P14410 5/20 0.65
MGAM2 Q2M2H8 5/20 0.65
LMNA P02545 2/20 0.65
NOTUM Q6P988 1/20 0.65
MAPT P10636 4/20 0.59
HSD17B10 Q99714 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
TP53 P04637 2/20 0.59
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
MEN1 O00255 1/20 0.49

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
SCHEMBL28851907 0.82 KDM4E (0.70) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL13160177 0.79 RAB9A (0.66) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL23328879 0.79 RAB9A (0.66) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10131103 0.79 KDM4E (0.65) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL6902047 0.79 ALDH1A1 (1.00) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL1143676 0.79 KDM4E (1.00) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL21095772 0.78 RAB9A (0.64) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL12680214 0.76 KDM4E (0.61) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL13659776 0.76 KDM4E (0.61) KDM4ERAB9ASMN1; SMN2NPC1HPGD
SCHEMBL10163324 0.76 KDM4E (0.68) KDM4ERAB9ASMN1; SMN2NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
US-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-07-12 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 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 (3 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-20120178715-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, EIF4EBP1 KDM4E 1178/4885RAB9A 637/4885SMN1; SMN2 2220/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA KDM4E 2031/4885RAB9A 100/4885SMN1; SMN2 1326/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A KDM4E 701/4885RAB9A 301/4885SMN1; SMN2 1070/4885

“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.