SCHEMBL324632

SCHEMBL324632

c1cnc2ccc3nnnc3c2nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HSP90AA1 P07900 5/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL1451059 0.79 LMNA (0.56) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL3586683 0.77 CCR1 (0.64) KDM4EMAPTLMNAALDH1A1POLB
SCHEMBL87693 0.74 MAPT (0.50) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL29463681 0.74 MAPT (0.50) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL30335572 0.74 MAPT (0.50) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL16626082 0.74 HSP90AA1 (0.43) KDM4EMAPTLMNAALDH1A1HSP90AA1
SCHEMBL8585181 0.73 MAPT (0.46) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL9058058 0.72 KDM4E (0.50) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL30716827 0.72 MAPT (0.48) KDM4EMAPTLMNAALDH1A1MEN1
SCHEMBL14314008 0.70 PDE4A (0.38) KDM4EMAPTLMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 — — US disclosed
US-8063040-B2 Triazabenzo[E]azulene derivatives for the treatment of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-22 — — US disclosed
EP-2111403-B1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2010-11-10 — — EP disclosed
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors MERCK PATENT GESELLSCHAFT (DE) 2010-03-11 — — US disclosed
EP-2111403-A1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent GmbH (DE) 2009-10-28 — — EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 — — US disclosed
WO-2008052628-A1 TRIAZABENZO[E]AZULENE DERIVATIVES FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2008-05-08 — — 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 KDM4E 2733/4885MAPT 3329/4885LMNA 3287/4885
US-20100063028-A1 Triazabenzo[E]Azulene Derivatives for the Treatment Of Tumors TGFBR1, TGFBR2, ACVR1 KDM4E 1486/4885MAPT 4081/4885LMNA 2526/4885

“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.

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