SCHEMBL7562747

SCHEMBL7562747

Cn1nc(-c2ccc(C(=O)NCc3cc(C(=N)N)ccc3O)cc2C(F)(F)F)c2c1CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
PRSS1 P07477 2/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
DDR1 Q08345 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 3/20 0.35
EPHX2 P34913 3/20 0.34
NTRK1 P04629 1/20 0.34
KLKB1 P03952 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
EPHX1 P07099 1/20 0.33
PRSS2 P07478 1/20 0.33
F7 P08709 1/20 0.33
PRSS3 P35030 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
SCHEMBL2986476 0.81 CYP1A2 (0.39) F10PRSS1DDR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6942078 0.80 CYP1A2 (0.38) F10PRSS1DDR1CYP1A2CYP2D6
SCHEMBL6939396 0.80 CYP1A2 (0.38) F10PRSS1DDR1CYP1A2CYP2D6
SCHEMBL7563517 0.79 CYP1A2 (0.37) F10PRSS1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7071388 0.79 CYP1A2 (0.37) F10PRSS1DDR1CYP1A2CYP2D6
SCHEMBL2998879 0.79 CYP1A2 (0.36) F10PRSS1DDR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7561338 0.79 CYP1A2 (0.37) F10PRSS1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7561554 0.78 GRIA2 (0.38) F10PRSS1DDR1CYP1A2CYP2D6
SCHEMBL6937674 0.76 MAPT (0.37) F10PRSS1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL6941228 0.76 F10 (0.35) F10PRSS1DDR1CYP1A2CYP2D6

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-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US claimed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 F10 33/4885PRSS1 1106/4885KDM4E 1448/4885

“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.