SCHEMBL2825625

SCHEMBL2825625

Cc1nc2ccc(Cl)cn2c(=O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ PIK3CD O00329 1/20 0.45
▸ PIK3R1 P27986 1/20 0.45
▸ MAP3K14 Q99558 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ ENPP2 Q13822 1/20 0.41
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ EPHB3 P54753 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ FADS1 O60427 1/20 0.36

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
SCHEMBL18894160 0.80 ALDH1A1 (0.51) GAAALDH1A1POLBPIK3CDPIK3R1
SCHEMBL21772779 0.78 FADS1 (0.40) GAAALDH1A1POLBPARP1CYP1A2
SCHEMBL11357352 0.78 RAB9A (0.52) GAAALDH1A1POLBPIK3CDPIK3R1
SCHEMBL6216870 0.77 ADRA2A (0.52) GAAALDH1A1POLBPIK3CDPIK3R1
SCHEMBL21772792 0.77 ALDH1A1 (0.41) GAAALDH1A1POLBPARP1CYP1A2
SCHEMBL23456478 0.77 FADS1 (0.41) GAAALDH1A1POLBPARP1CYP1A2
SCHEMBL23414973 0.77 FADS1 (0.52) GAAALDH1A1POLBTDP1PARP1
Hydrochloric Acid SCHEMBL11360651 0.77 RAB9A (0.51) GAAALDH1A1POLBPIK3CDPIK3R1
SCHEMBL3958536 0.76 PABPC1 (0.46) GAAALDH1A1POLBCYP1A2CYP2C9
SCHEMBL13036621 0.75 ALDH1A1 (0.54) GAAALDH1A1POLBPIK3CDPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 — — US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 — — 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 (1 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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 GAA 1868/4885ALDH1A1 4233/4885POLB 4587/4885

“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.

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