SCHEMBL5657346

SCHEMBL5657346

CC(C)Cn1ccnc1C=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
FDPS P14324 1/20 0.33
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
AGER Q15109 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2560497 0.86 KDM4E (0.39) BRD4SMN1; SMN2ALDH1A1KMT2AFDPS
SCHEMBL15331423 0.82 BRD4 (0.38) BRD4SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL18016417 0.81 BRD4 (0.42) BRD4SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL28079599 0.81 TGFBR1 (0.33) BRD4ALDH1A1POLBKMT2A
SCHEMBL2496018 0.81 HPGD (0.35) BRD4ALDH1A1POLBKMT2AFDPS
SCHEMBL29156913 0.80 ALDH1A1 (0.30) BRD4ALDH1A1POLBKMT2A
SCHEMBL1206354 0.79
SCHEMBL2563628 0.77 KMT2A (0.38) SMN1; SMN2ALDH1A1POLBKMT2AFDPS
SCHEMBL179780 0.76 KMT2A (0.52) BRD4ALDH1A1POLBKMT2AFDPS
SCHEMBL1206348 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1POLBKMT2AMEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-112174903-B Small molecule modulators of TLR8 清华大学 2022-07-12 CN disclosed
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 BRD4 156/4885SMN1; SMN2 1174/4885ALDH1A1 519/4885

“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.