SCHEMBL11236640

SCHEMBL11236640

Cc1ccc(NC(N)=NC#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.58
GRIN3B O60391 1/20 0.58
GRIN1 Q05586 1/20 0.58
GRIN2A Q12879 1/20 0.58
GRIN2B Q13224 1/20 0.58
GRIN2C Q14957 1/20 0.58
GRIN3A Q8TCU5 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
KIF11 P52732 1/20 0.46
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
DDAH1 O94760 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL9701789 0.83 PEPD (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1983932 0.81 NPC1 (0.50) SIGMAR1ALDH1A1GAAMAPTTDP1
SCHEMBL10112792 0.81 SIGMAR1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1983930 0.81 NPC1 (0.50) SIGMAR1ALDH1A1GAAMAPTTDP1
SCHEMBL15094415 0.81 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11232538 0.81 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11227305 0.81 CRHBP (0.51) SIGMAR1CRHBPCRHR2ALDH1A1GAA
SCHEMBL160935 0.78 MDM2 (0.44) ALDH1A1GAAKDM4EPOLBADRA2A
SCHEMBL15366862 0.78 MDM2 (0.44) ALDH1A1GAAKDM4EPOLBADRA2A
SCHEMBL6402612 0.77 MEN1 (0.54) ALDH1A1GAAKDM4EPOLBNPC1

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-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2024-03-21 US claimed
US-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES UCB Biopharma SRL (BE) 2024-03-21 US disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US disclosed
US-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 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-20240092773-A1 DIHYDRO-CYCLOPENTA-ISOQUINOLINE SULFONAMIDES DERIVATIVES FCER2, FCGR2A, FCGR1A GRIN2D 1205/4885GRIN3B 1345/4885GRIN1 1358/4885

“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.