SCHEMBL6354890

SCHEMBL6354890

Cc1c(C#N)cccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NISCH Q9Y2I1 1/20 0.38
LRRK2 Q5S007 1/20 0.37
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
MAOB P27338 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL31667703 1.00 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL10536357 0.84 TSHR (0.40) TSHRNISCHLRRK2ALDH1A1MAOB
SCHEMBL8855696 0.83 TSHR (0.46) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL11967122 0.82 TSHR (0.45) TSHRNISCHLRRK2ALDH1A1MAOB
SCHEMBL8700310 0.80 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL15898401 0.80 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
Water SCHEMBL8703021 0.80 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL2134106 0.80 PDCD1 (0.48) TSHRNISCHLRRK2ALDH1A1SMN1; SMN2
SCHEMBL3933757 0.80 TSHR (0.43) TSHRNISCHLRRK2CYP19A1ALDH1A1
SCHEMBL899 0.79 CYP19A1 (0.46) TSHRCYP19A1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024061340-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-03-28 WO disclosed
CN-109563043-A SUBSTITUTED PYRIDINES AS INHIBITORS OF DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2019-04-02 CN disclosed
WO-2016045125-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
US-20050154007-A1 New compounds AMIN KOSRAT (SE) 2005-07-14 US disclosed
US-6790960-B2 Compounds ASTRAZENECA AB (SE) 2004-09-14 US disclosed
EP-1411056-A2 Imidazo[1,2-a]pyridine compounds that inhibit gastric acid secretion, pharmaceutical compositions thereof, and processes for their preparation AstraZeneca AB (SE) 2004-04-21 EP disclosed
US-20030220364-A1 New compounds AMIN KOSRAT (SE) 2003-11-27 US disclosed
US-6579884-B1 Compounds ASTRAZENECA AB (SE) 2003-06-17 US disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
CN-1329613-A novel compounds ASTRAZENECA AB (SE) 2002-01-02 CN disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 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 (2 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-20030220364-A1 New compounds SLC10A2, GIPR, FABP2 TSHR 2682/4885NISCH 760/4885LRRK2 2644/4885
US-20050154007-A1 New compounds SLC10A2, GIPR, FABP6 TSHR 2629/4885NISCH 608/4885LRRK2 2657/4885

“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.