SCHEMBL14738327

SCHEMBL14738327

Cn1nc2ccc(OC(F)F)cc2c1I

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.34
SYK P43405 1/20 0.33
MAT2A P31153 1/20 0.33
BACE1 P56817 1/20 0.33
HTT P42858 1/20 0.33
F2RL3 Q96RI0 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM2 Q14416 1/20 0.32
APP P05067 2/20 0.32
GPR139 Q6DWJ6 1/20 0.32
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP4A P20648 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP4B P51164 1/20 0.32
ATP1B3 P54709 1/20 0.32

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
SCHEMBL14738477 0.82 APP (0.45) KDM4CHTTAPPALDH1A1KMT2A
SCHEMBL14739769 0.82 KDM4C (0.46) KDM4CCYP2C9CYP2C19ALDH1A1NPC1
SCHEMBL14737228 0.76 SYK (0.41) SYKBACE1HTTF2RL3CYP17A1
SCHEMBL21265906 0.74 MEN1 (0.37) KDM4CBACE1HTTCYP2C9CYP2C19
SCHEMBL15791953 0.72 LMNA (0.38) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL14738721 0.71 CYP1A2 (0.44) CYP2C9CYP2C19
SCHEMBL15791888 0.71 KDM4C (0.42) KDM4CHTTCYP2C19APPGABRG2
SCHEMBL14737222 0.71 KMT2A (0.33) HTTALDH1A1KMT2A
SCHEMBL14752463 0.71 ADORA2A (0.49) SYKBACE1F2RL3CYP17A1CYP2C9
SCHEMBL1048915 0.70 CASP3 (0.40) HTTCYP2C9CYP2C19ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KDM4C 1619/4885SYK 1/4885MAT2A 2959/4885

“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.