SCHEMBL3905974

SCHEMBL3905974

COc1cc2c(Cl)ccnc2cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.49
CGAS Q8N884 1/20 0.47
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
TGFBR1 P36897 1/20 0.43
EGFR P00533 2/20 0.42
DOT1L Q8TEK3 1/20 0.42
GAK O14976 2/20 0.41
BMPR1B O00238 1/20 0.41
EPHB6 O15197 1/20 0.41
RIPK2 O43353 1/20 0.41
ABL1 P00519 1/20 0.41
LCK P06239 1/20 0.41
EPHA1 P21709 1/20 0.41
EPHA8 P29322 1/20 0.41
ACVR1 Q04771 1/20 0.41
MAP2K5 Q13163 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
NCF1 P14598 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
SCHEMBL26178852 0.93 SRC (0.49) SRCCGASPDGFRBPDGFRATGFBR1
SCHEMBL29387468 0.88 SRC (0.60) SRCCGASPDGFRBPDGFRAEGFR
SCHEMBL29576504 0.88 SRC (0.60) SRCCGASPDGFRBPDGFRAEGFR
SCHEMBL359988 0.88 SRC (0.60) SRCCGASPDGFRBPDGFRAEGFR
Hydrochloric Acid SCHEMBL6432173 0.86 SRC (0.58) SRCCGASPDGFRBPDGFRAEGFR
SCHEMBL6004164 0.86 CGAS (0.59) SRCCGASPDGFRBPDGFRAEGFR
SCHEMBL24008989 0.83 SRC (0.58) SRCCGASPDGFRBPDGFRAEGFR
SCHEMBL6002911 0.82 TLR8 (0.43) SRC
SCHEMBL22766354 0.82 SRC (0.48) SRCCGASPDGFRBPDGFRAEGFR
SCHEMBL29612582 0.82 SRC (0.48) SRCCGASPDGFRBPDGFRAEGFR

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
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2018-05-17 US disclosed
US-20180099962-A1 NAPHTHYRIDINE COMPOUNDS, MEDICAL COMBINATIONS AND USE THEREOF NANJING NATINEFY PHARMATECH CO., LTD. (CN) 2018-04-12 US disclosed
US-9938274-B1 Naphthyridine compounds, medical combinations and use thereof NANJING NATINEFY PHARMATECH CO., LTD. (CN) 2018-04-10 US disclosed
US-9877970-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9827248-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-11-28 US disclosed
US-9695184-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA BIO, Inc. 2016-08-18 US disclosed
US-9353122-B2 Therapeutic compounds and uses thereof KALA PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20160002254-A1 Therapeutic Compounds and Uses Thereof KALA PHARMACEUTICALS, INC. (US) 2016-01-07 US disclosed
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP 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 (8 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-20180099962-A1 NAPHTHYRIDINE COMPOUNDS, MEDICAL COMBINATIONS AND USE THEREOF NPM1, NEK4, NME1 SRC 697/4885CGAS 558/4885PDGFRB 4024/4885
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 SRC 399/4885CGAS 1697/4885PDGFRB 16/4885
US-20180133225-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SRC 4259/4885CGAS 1387/4885PDGFRB 2819/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 SRC 496/4885CGAS 2260/4885PDGFRB 14/4885
US-20160235761-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SRC 4259/4885CGAS 1387/4885PDGFRB 2819/4885
US-20160237093-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SRC 4259/4885CGAS 1387/4885PDGFRB 2819/4885
US-20140235634-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF MUC1, CFTR, SLC26A4 SRC 4259/4885CGAS 1387/4885PDGFRB 2819/4885
US-20160002254-A1 Therapeutic Compounds and Uses Thereof PCSK9, CFTR, SLC10A1 SRC 2335/4885CGAS 2010/4885PDGFRB 2778/4885

“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.