SCHEMBL2727659

SCHEMBL2727659

N#Cc1ccc(-c2nnc(Cc3cccc(I)c3)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GSK3B P49841 4/20 0.44
▸ GSK3A P49840 3/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNB3 Q8WWL7 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 3/20 0.42

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
SCHEMBL6033847 0.85 RAB9A (0.71) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2710881 0.81 RAB9A (0.51) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2729058 0.77 GSK3B (0.52) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL2727831 0.74 QPCT (0.39) ALDH1A1HSD17B10
SCHEMBL4449845 0.74 RAB9A (0.51) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4449842 0.72 TSHR (0.48) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL17001607 0.71 MAPT (0.51) TSHRNPC1RAB9ASMN1; SMN2GSK3B
SCHEMBL11920163 0.71 ALDH1A1 (0.64) TSHRNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL27864374 0.70 MAOA (0.68) NPC1HPGDRAB9ASMN1; SMN2GSK3B
SCHEMBL5670474 0.70 RAB9A (0.93) TSHRNPC1HPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630144-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-09-07 — — EP disclosed
EP-2630144-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-09-07 — — EP disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
US-9000154-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
EP-2630144-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-08-28 — — EP disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
US-20120270868-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 — — US disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO disclosed
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — 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 (1 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-20120270868-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA TSHR 2246/4885NPC1 677/4885HPGD 919/4885

“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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