SCHEMBL3307262

SCHEMBL3307262

Fc1c(Br)cc2nccnc2c1F

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK10 P53779 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL3303588 0.82 KDM4E (0.41) MAPK1ADRA2AADRA2BADRA2CADRA1D
SCHEMBL16040498 0.78 MAPK1 (0.33) MAPK1ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL30217734 0.78 MAPK1 (0.33) MAPK1ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL3305107 0.77 NQO2 (0.39) MAPK1HSD17B10
SCHEMBL18388861 0.75 HTT (0.36) MAPK1ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL29639045 0.75 HTT (0.36) MAPK1ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL3312075 0.75 THRB (0.37) MAPK1ALDH1A1HSD17B10
SCHEMBL3304131 0.75 ALDH1A1 (0.40) ALDH1A1ALOX15MAPK10HSD17B10
SCHEMBL25222485 0.74 ADRA2A (0.41) MAPK1ALDH1A1ALOX15HSD17B10ADRA2A
SCHEMBL30486566 0.74 ADRA2A (0.41) MAPK1ALDH1A1ALOX15HSD17B10ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102197031-A Substituted 5-aminopyrazoles and use thereof BAYER SCHERING PHARMA AG 2011-09-21 CN disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (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-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT MAPK1 4445/4885ALDH1A1 260/4885ALOX15 577/4885

“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.