SCHEMBL797188

SCHEMBL797188

CCc1ccnc2c1CCC(=O)N2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP19A1 P11511 14/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
RAF1 P04049 1/20 0.34
EGFR P00533 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL10298655 0.84 LMNA (0.38) HTR2AHTR2CHTR2BPDE3BPDE3A
SCHEMBL11987587 0.79 HTR2C (0.43) HTR2AHTR2CHTR2B
SCHEMBL10267990 0.79 PDE3B (0.40) HTR2AHTR2CHTR2BPDE3BPDE3A
SCHEMBL797186 0.76 UHRF1 (0.41) HTR2AHTR2CHTR2B
SCHEMBL10298656 0.76 ENPP1 (0.48) HTR2AHTR2CHTR2B
SCHEMBL10308620 0.76 MB (0.40) HTR2AHTR2CHTR2BPDE3BPDE3A
SCHEMBL18436035 0.75 BRAF (0.40) RAF1EGFRBRAF
SCHEMBL346352 0.75 SRD5A1 (0.44) RAF1EGFRBRAF
SCHEMBL22940330 0.75 CRBN (0.36) PDE3BPDE3ARAF1BRAF
SCHEMBL3009275 0.75 DAO (0.37) PDE3BPDE3ARAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-11-09 US disclosed
WO-2021018018-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INIDBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2021-02-04 WO disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 US disclosed
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES KIM TAE-SEONG (US) 2012-03-22 US disclosed
US-8088794-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2012-01-03 US disclosed
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7858623-B2 Substituted amide derivatives and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-20080312232-A1 Substituted amide derivatives and methods of use AMGEN INC. (US) 2008-12-18 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 (4 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-20230357179-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF HTR2A 4699/4885HTR2C 4546/4885HTR2B 4487/4885
US-20080312232-A1 Substituted amide derivatives and methods of use HGF, HGFAC, MET HTR2A 3904/4885HTR2C 4020/4885HTR2B 3857/4885
US-20120070413-A1 METHOD OF TREATING CANCER WITH SUBSTITUTED AMIDE DERIVATIVES HGF, HGFAC, MET HTR2A 3732/4885HTR2C 3791/4885HTR2B 3689/4885
US-20110118252-A1 SUBSTITUTED AMIDE DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET HTR2A 3904/4885HTR2C 4020/4885HTR2B 3857/4885

“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.