SCHEMBL9913071

SCHEMBL9913071

NC(=O)c1cccn1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
RAB9A P51151 1/20 0.56
CTRB1 P17538 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
KDM1A O60341 1/20 0.55
RCOR1 Q9UKL0 1/20 0.55
KMT2A Q03164 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
GFER P55789 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 1/20 0.52
PREP P48147 2/20 0.51

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
SCHEMBL8125700 1.00 TSHR (0.56) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL3312267 0.83 MAPK1 (0.39) CYP3A4CYP2C9NPSR1KDM4EALDH1A1
SCHEMBL4758726 0.81 CTRB1 (0.66) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL6317971 0.81 CTRB1 (0.66) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL8127602 0.81 NPC1 (0.53) RAB9ANPSR1KMT2AL3MBTL1KDM4E
SCHEMBL6468026 0.79 PREP (0.61) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL13209657 0.79 PREP (0.61) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL10173007 0.79 PREP (0.61) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL1437568 0.79 PREP (0.64) TSHRCYP3A4MAPTCYP2C9RAB9A
SCHEMBL475629 0.79 PREP (0.64) TSHRCYP3A4MAPTCYP2C9RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-8198438-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 US disclosed
US-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-06 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-20100113454-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, LCK, MAP3K15 TSHR 2750/4885CYP3A4 2658/4885MAPT 98/4885

“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.