SCHEMBL3549256

SCHEMBL3549256

CCC1CC1(C#N)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.32
HSD11B1 P28845 1/20 0.32
GRM2 Q14416 2/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 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
SCHEMBL3958437 0.81 GRM2 (0.32) HSD11B1GRM2GRM5GRM1
SCHEMBL3958433 0.81 GRM2 (0.32) HSD11B1GRM2GRM5GRM1
SCHEMBL10990279 0.77 ALDH1A1 (0.35)
SCHEMBL24868147 0.76
SCHEMBL4645147 0.76
SCHEMBL6607890 0.73 PDE4A (0.34)
SCHEMBL11125888 0.72 ABCC4 (0.32)
SCHEMBL30309362 0.71
SCHEMBL24868385 0.71
SCHEMBL669391 0.71 MAPT (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260146043-A1 CRYSTALLINE FORMS OF PYRIMIDINO DIAZEPINE DERIVATIVE CYCLACEL PHARMACEUTICALS INC. (US) 2026-05-28 US disclosed
US-12570660-B2 Process for the preparation of a pyrimidino-diazepine derivative CYCLACEL PHARMACEUTICALS, INC (GB) 2026-03-10 US disclosed
US-12534466-B2 Crystalline forms of pyrimidino diazepine derivative CYCLACEL PHARMACEUTICALS INC. (US) 2026-01-27 US disclosed
US-20220289755-A1 PROCESS FOR THE PREPARATION OF A PYRIMIDINO-DIAZEPINE DERIVATIVE TETHRA BIOSCIENCES INC. 2022-09-15 US disclosed
US-20220281880-A1 CRYSTALLINE FORMS OF PYRIMIDINO DIAZEPINE DERIVATIVE TETHRA BIOSCIENCES INC. 2022-09-08 US disclosed
EP-4013503-A1 CRYSTALLINE FORMS OF PYRIMIDINO DIAZEPINE DERIVATIVE Cyclacel Limited (GB) 2022-06-22 EP disclosed
WO-2021032959-A1 CRYSTALLINE FORMS OF PYRIMIDINO DIAZEPINE DERIVATIVE CYCLACEL LIMITED (GB) 2021-02-25 WO disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (6 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-12570660-B2 Process for the preparation of a pyrimidino-diazepine derivative AZI2, TFPI, GTF2I APLNR 4717/4885HSD11B1 1551/4885GRM2 669/4885
US-20260146043-A1 CRYSTALLINE FORMS OF PYRIMIDINO DIAZEPINE DERIVATIVE CTNND1, CCNC, SFN APLNR 4715/4885HSD11B1 569/4885GRM2 1789/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 APLNR 2009/4885HSD11B1 83/4885GRM2 3597/4885
US-12534466-B2 Crystalline forms of pyrimidino diazepine derivative PLK1, BUB1, CDC25C APLNR 4704/4885HSD11B1 2708/4885GRM2 3669/4885
US-20220281880-A1 CRYSTALLINE FORMS OF PYRIMIDINO DIAZEPINE DERIVATIVE PDCD5, NLRP3, PDCD1 APLNR 4727/4885HSD11B1 1637/4885GRM2 1806/4885
US-20220289755-A1 PROCESS FOR THE PREPARATION OF A PYRIMIDINO-DIAZEPINE DERIVATIVE DHPS, CYP3A5, AZI2 APLNR 4608/4885HSD11B1 356/4885GRM2 122/4885

“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.