SCHEMBL3706701

SCHEMBL3706701

c1cc2nc(C3CCNCC3)[nH]c2cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.49
MAPK13 O15264 1/20 0.45
RAF1 P04049 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RPS6KA5 O75582 1/20 0.40
IKBKB O14920 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 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
Hydrochloric Acid SCHEMBL3705755 0.98 PARP1 (0.48) PARP1MAPK13RAF1MAPK9MAPK12
SCHEMBL14447536 0.88 PARP1 (0.46) PARP1MAPK13RAF1MAPK9MAPK12
SCHEMBL21174134 0.87 NPC1 (0.55) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL25881418 0.86 NPC1 (0.57) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL531889 0.79 PARP1 (0.52) PARP1MAPTALDH1A1PKMHPGD
Hydrochloric Acid SCHEMBL1299145 0.78 HTR2B (0.51) PARP1KDM4EMAPTGFERALDH1A1
SCHEMBL17888854 0.76 AKT1 (0.50) PARP1MAPK11MAPK14ALDH1A1AKT1
SCHEMBL15767650 0.74 NPC1 (0.48) MAPK13RAF1MAPK9MAPK12MAPK11
SCHEMBL2708884 0.74 MPO (0.54) PARP1MAPK13RAF1MAPK9MAPK12
SCHEMBL7968676 0.74 NPC1 (0.51) PARP1MAPK13RAF1MAPK9MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240783-B1 NEW BENZIMIDAZOLE DERIVATIVES AS ANTIHISTAMINE AGENTS FAES FARMA SA (ES) 2018-11-21 EP disclosed
US-10106522-B2 Benzimidazole derivatives as antihistamine agents FAES FARMA, S.A. (ES) 2018-10-23 US disclosed
US-20180016251-A1 NEW BENZIMIDAZOLE DERIVATIVES AS ANTIHISTAMINE AGENTS FAES FARMA, S.A. (ES) 2018-01-18 US disclosed
EP-3240783-A1 NEW BENZIMIDAZOLE DERIVATIVES AS ANTIHISTAMINE AGENTS FAES FARMA, S.A. (ES) 2017-11-08 EP disclosed
WO-2016107848-A1 NEW BENZIMIDAZOLE DERIVATIVES AS ANTIHISTAMINE AGENTS FAES FARMA, S.A. (ES) 2016-07-07 WO disclosed
EP-3040334-A1 New benzimidazole derivatives as antihistamine agents Faes Farma, S.A. (ES) 2016-07-06 EP disclosed
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-8957064-B2 Fused pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (US) 2015-02-17 US disclosed
US-20130317002-A1 FUSED PYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 US disclosed
EP-2396331-B1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER IP GMBH (DE) 2013-10-16 EP disclosed
EP-2396330-A1 FUSED PYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2011-12-21 EP disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
WO-2010091808-A1 FUSED PYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 WO disclosed
WO-2010091824-A1 FUSED PYRIMIDINES AS AKT INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-19 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 (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-20180016251-A1 NEW BENZIMIDAZOLE DERIVATIVES AS ANTIHISTAMINE AGENTS HRH2, HRH4, HRH1 PARP1 3138/4885MAPK13 904/4885RAF1 1820/4885
US-20130317002-A1 FUSED PYRIMIDINES PIK3CA, MTOR, TYMS PARP1 682/4885MAPK13 88/4885RAF1 253/4885
US-10106522-B2 Benzimidazole derivatives as antihistamine agents HRH2, HRH1, HRH4 PARP1 2834/4885MAPK13 1316/4885RAF1 1921/4885

“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.