SCHEMBL17540831

SCHEMBL17540831

CC(C)c1cc(-c2ccncc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 4/20 0.42
▸ GAA P10253 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX12 P18054 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NOTUM Q6P988 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ KIF11 P52732 2/20 0.36
▸ PABPC1 P11940 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ EIF4H Q15056 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ PRKCI P41743 2/20 0.35

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
SCHEMBL20286594 0.82 ALDH1A1 (0.47) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL17540830 0.80 DYRK1A (0.62) ALDH1A1SMN1; SMN2KIF11DYRK1ADYRK1B
SCHEMBL24037298 0.78 ALDH1A1 (0.43) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL26244770 0.75 ALDH1A1 (0.44) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL26244764 0.74 ALDH1A1 (0.38) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL26245691 0.74 ALDH1A1 (0.38) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL5226951 0.72 MAPT (0.50) MAPTLMNAALDH1A1HPGDGAA
SCHEMBL6259920 0.72 CA2 (0.52) KIF11
SCHEMBL28318687 0.70 DYRK1A (0.59) MAPTLMNAKDM4ENOTUMKIF11
SCHEMBL14734080 0.69 BACE1 (0.44) —

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-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
US-9029407-B2 Aminothiazole modulators of beta-3-adrenoreceptor AUSPEX PHARMACEUTICALS, INC. (US) 2015-05-12 — — 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 619/4885ALDH1A1 2364/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 MAPT 3370/4885LMNA 619/4885ALDH1A1 2364/4885

“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.

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