SCHEMBL5226951

SCHEMBL5226951

Cc1cc(-c2ccncc2)cs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
NOTUM Q6P988 1/20 0.42
KIF11 P52732 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
EIF4H Q15056 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
QDPR P09417 1/20 0.39
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
GRM5 P41594 1/20 0.38
HPGD P15428 5/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX12 P18054 1/20 0.37

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
SCHEMBL4244577 0.83 DAO (0.44) APOBEC3GKDM4ENPC1RAB9AHPGD
SCHEMBL14198883 0.79 ALDH1A1 (0.41) MAPTLMNANOTUMSMN1; SMN2APOBEC3G
SCHEMBL883778 0.79 ALDH1A1 (0.44) MAPTLMNANOTUMSMN1; SMN2KDM4E
SCHEMBL14817175 0.78 DYRK1A (0.68) LMNADYRK1ADYRK1BGRM5ALDH1A1
SCHEMBL20288147 0.77 DYRK1A (0.50) DYRK1ACYP3A4CYP2D6
SCHEMBL18869535 0.76 ALAD (0.52) MAPTLMNASMN1; SMN2KDM4ENPC1
SCHEMBL13802803 0.76 ALAD (0.52) MAPTNPC1RAB9AALDH1A1CYP1A2
SCHEMBL28318687 0.74 DYRK1A (0.59) MAPTLMNANOTUMKIF11KDM4E
SCHEMBL14335691 0.74 HPGD (0.37) APOBEC3GKDM4EDYRK1AHPGDALDH1A1
SCHEMBL14336014 0.74 RPS6KA3 (0.58) KMT2A

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
EP-1673372-B1 NON-AMIDE NONANES ASTRAZENECA AB (SE) 2007-05-30 EP claimed
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 US disclosed
US-9670157-B2 Benzylamine derivatives KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-06-06 US disclosed
US-20160039752-A1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-02-11 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 (2 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-20160039752-A1 BENZYLAMINE DERIVATIVES BDKRB1, BDKRB2, KLKB1 MAPT 3370/4885LMNA 619/4885NOTUM 1090/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 MAPT 3370/4885LMNA 619/4885NOTUM 1090/4885

“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.