SCHEMBL17540830

SCHEMBL17540830

CC(C)c1cc(-c2cccnc2)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.62
▸ DYRK1B Q9Y463 5/20 0.62
▸ DYRK2 Q92630 1/20 0.53
▸ CYP2A6 P11509 7/20 0.50
▸ CYP3A4 P08684 6/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 5/20 0.46
▸ CYP2B6 P20813 5/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP2E1 P05181 4/20 0.45
▸ CYP19A1 P11511 2/20 0.45
▸ CYP17A1 P05093 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP2D6 P10635 2/20 0.42
▸ AXL P30530 2/20 0.42
▸ MKNK1 Q9BUB5 2/20 0.42
▸ MKNK2 Q9HBH9 2/20 0.42

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
SCHEMBL17540831 0.80 MAPT (0.44) DYRK1ADYRK1BALDH1A1SMN1; SMN2KIF11
SCHEMBL24037298 0.78 ALDH1A1 (0.43) DYRK1ADYRK1BCYP2A6ALDH1A1SMN1; SMN2
SCHEMBL20286594 0.78 ALDH1A1 (0.47) CYP2A6ALDH1A1CYP2B6CYP2E1CYP11B1
SCHEMBL27612886 0.78 DYRK1A (0.51) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL14817175 0.77 DYRK1A (0.68) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL26244770 0.76 ALDH1A1 (0.44) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL17540829 0.75 DYRK1A (0.64) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL7213603 0.74 DYRK1A (0.68) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL7933423 0.74 DYRK1A (0.68) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4
SCHEMBL12529444 0.73 DYRK1A (0.62) DYRK1ADYRK1BDYRK2CYP2A6CYP3A4

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 7 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-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-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-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 DYRK1A 3321/4885DYRK1B 3828/4885DYRK2 3249/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 DYRK1A 3321/4885DYRK1B 3828/4885DYRK2 3249/4885

“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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