SCHEMBL1901873

SCHEMBL1901873

Nc1nc(Cl)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
MAP4K4 O95819 1/20 0.42
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 3/20 0.41

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
SCHEMBL29972990 1.00 KDM4E (0.45) KDM4EALDH1A1LMNAGLAHPGD
SCHEMBL2174430 0.83 FGFR1 (0.49) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL29032831 0.82 MAPT (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL17336612 0.80 CYP2A6 (0.51) KDM4EALDH1A1GLAHSP90AA1HSP90AB1
SCHEMBL7905040 0.78 CYP2A6 (0.44) KDM4EALDH1A1LMNAGLAHPGD
SCHEMBL5217367 0.77 KDM4E (0.47) KDM4EALDH1A1LMNAGLAHPGD
SCHEMBL27651135 0.76 MAP2K3 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL24810006 0.75 MAPK1 (0.41) KDM4EALDH1A1LMNAGLAHPGD
SCHEMBL3180674 0.75 FGFR1 (0.46) KDM4EALDH1A1LMNAHPGDMEN1
SCHEMBL8306873 0.75 ALDH1A1 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2MEN1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
EP-3122346-B1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME (US) 2020-07-15 EP disclosed
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 US disclosed
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2020-02-11 US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 US disclosed
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-9815846-B2 TrkA kinase inhibitors, compositions and methods thereof MERCK SHARP & DOHME CORP. (US) 2017-11-14 US disclosed
US-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-09 US disclosed
US-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 US disclosed
US-6348463-B1 Phenylalanine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2002-02-19 US disclosed
WO-2002008206-A1 3-AMINO-2-(4-AMINOCARBONYLOXY)PHENYL-PROPIONIC ACID DERIVATIVES AS ALPHA-4- INTEGRIN INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
EP-1117657-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-07-25 EP disclosed
WO-2000018759-A1 PHENYLALANINE DERIVATIVES AS ALPHA 4 INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-04-06 WO disclosed
US-4408047-A ADRENERGIC BLOCKING MERCK & CO., INC. (US) 1983-10-04 US disclosed
US-4330543-A AS ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1982-05-18 US disclosed
US-4233301-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1980-11-11 US disclosed
US-4166851-A ADRENERGIC BLOCKING AGENTS MERCK & CO., INC. (US) 1979-09-04 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 (4 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-20020055509-A1 Phenylalanine derivatives as alpha 4 integrin inhibitors ITGB4, ITGA4, ITGB3 KDM4E 469/4885ALDH1A1 1200/4885LMNA 2515/4885
US-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 KDM4E 1423/4885ALDH1A1 330/4885LMNA 2207/4885
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF KDM4E 3919/4885ALDH1A1 4433/4885LMNA 1151/4885
US-10556900-B2 TrkA kinase inhibitors, compositions and methods thereof NGFR, NTRK2, NGF KDM4E 3919/4885ALDH1A1 4433/4885LMNA 1151/4885

“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.