SCHEMBL12072142

SCHEMBL12072142

Cc1cc2nc(-c3ccccc3N)[nH]c2cc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.71
ALDH1A1 P00352 4/20 0.71
KDM4E B2RXH2 3/20 0.71
MAPT P10636 3/20 0.71
GAA P10253 2/20 0.71
HPGD P15428 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
GLA P06280 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ATM Q13315 1/20 0.59
ERAP1 Q9NZ08 1/20 0.59
METAP2 P50579 1/20 0.56
METAP1 P53582 1/20 0.56
CBFB Q13951 1/20 0.56
AMY1A P0DUB6 6/20 0.56
ADORA3 P0DMS8 1/20 0.54
PDGFRB P09619 1/20 0.53
FGFR1 P11362 1/20 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
SCHEMBL4494716 0.89 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2946648 0.85 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2250359 0.83 NPC1 (0.78) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2681611 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7398247 0.81 AMY1A (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL3341622 0.81 GUSB (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12145570 0.81 AMY1A (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12072293 0.81 AMY1A (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28081555 0.80 RAB9A (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11284879 0.79 GAA (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-09-14 US disclosed
US-10629817-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2020-04-21 US disclosed
US-10224493-B2 Boron-containing compounds MERCK PATENT GMBH (DE) 2019-03-05 US disclosed
US-20180145260-A1 MATERIALS FOR ORGANIC ELECTRLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2018-05-24 US disclosed
EP-2906575-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-17 EP disclosed
US-9831446-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-9831446-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-11-28 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-9273080-B2 Metal complexes MEREK PATENT GMBH (DE) 2016-03-01 US disclosed
US-20150270500-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20150270500-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
WO-2014056564-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-04-17 WO disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
US-20130082209-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2013-04-04 US disclosed
WO-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 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 (6 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-20180145260-A1 MATERIALS FOR ORGANIC ELECTRLUMINESCENT DEVICES KCNB2, KCNB1, GJB2 NPC1 1470/4885RAB9A 2637/4885SMN1; SMN2 3491/4885
US-11121327-B2 Spiro-condensed lactam compounds for organic electroluminescent devices PORCN, COASY, AAAS NPC1 3971/4885RAB9A 1790/4885SMN1; SMN2 3569/4885
US-20130082209-A1 METAL COMPLEXES MCOLN2, MCOLN1, AP1M1 NPC1 1682/4885RAB9A 1404/4885SMN1; SMN2 1996/4885
US-20150270500-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 NPC1 3516/4885RAB9A 2201/4885SMN1; SMN2 3736/4885
US-10224493-B2 Boron-containing compounds BRI3BP, BTD, BICRA NPC1 1374/4885RAB9A 1514/4885SMN1; SMN2 3497/4885
US-10629817-B2 Materials for organic electroluminescent devices KCNB2, KCNB1, GJB2 NPC1 1578/4885RAB9A 2413/4885SMN1; SMN2 3453/4885

“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.