SCHEMBL5657844

SCHEMBL5657844

Cc1ccnc(C(=O)c2ccc(F)cc2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.46
PTGS2 P35354 4/20 0.46
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
AURKA O14965 5/20 0.40
CHEK2 O96017 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
FLT4 P35916 1/20 0.40
ABL2 P42684 1/20 0.40
BLK P51451 1/20 0.40
LIMK1 P53667 1/20 0.40
AURKB Q96GD4 1/20 0.40
SORT1 Q99523 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL5655050 0.81 GRM4 (0.50) KMT2AATMAURKACHEK2CSF1R
SCHEMBL28462767 0.77 KMT2A (0.55) KMT2AATMHCRTR1HCRTR2P2RX7
SCHEMBL5259643 0.75 PTGS1 (0.49) PTGS1PTGS2NPC1RAB9ATP53
SCHEMBL21564849 0.75 KMT2A (0.46) KMT2AATMHCRTR1HCRTR2NPC1
SCHEMBL8101548 0.73 CTNNB1 (0.47) PTGS1PTGS2KMT2AHCRTR1HCRTR2
SCHEMBL28471721 0.72 CES2 (0.48) KMT2AATMNPC1RAB9ATP53
SCHEMBL30133947 0.71 KMT2A (0.49) KMT2AATMHCRTR1HCRTR2AURKA
SCHEMBL2074860 0.71 KMT2A (0.49) KMT2AATMHCRTR1HCRTR2AURKA
SCHEMBL334641 0.70 KEAP1 (0.52) KMT2AATMHCRTR1HCRTR2
SCHEMBL332541 0.70 SMO (0.45) KMT2AATMHCRTR1HCRTR2P2RX7

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
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 PTGS1 2248/4885PTGS2 2280/4885KMT2A 391/4885

“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.