SCHEMBL17503944

SCHEMBL17503944

Cc1c(C(=O)O)cnn1Cc1csc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 7/20 0.68
▸ KLK1 P06870 6/20 0.68
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RAB9A P51151 3/20 0.54
▸ PRNP P04156 1/20 0.54
▸ AKR1B1 P15121 1/20 0.50
▸ DRD2 P14416 2/20 0.48
▸ DRD4 P21917 2/20 0.48
▸ DRD3 P35462 2/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ DNM1L O00429 1/20 0.46

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
SCHEMBL15873782 0.82 KLKB1 (1.00) KLKB1KLK1
SCHEMBL17503922 0.80 KLK1 (0.68) KLKB1KLK1MEN1KMT2ARAB9A
SCHEMBL15873870 0.79 KLKB1 (0.68) KLKB1KLK1
SCHEMBL6052538 0.78 KMT2A (0.55) MEN1KMT2ANPC1SMN1; SMN2TSHR
SCHEMBL17503953 0.76 KLKB1 (0.68) KLKB1KLK1MEN1KMT2ARAB9A
SCHEMBL28229261 0.74 DNM1L (0.53) KLKB1KLK1MEN1KMT2ARAB9A
SCHEMBL16246855 0.73 KLKB1 (0.67) KLKB1KLK1MEN1KMT2ARAB9A
SCHEMBL19668533 0.72 RAB9A (0.53) KLKB1KLK1MEN1KMT2ARAB9A
SCHEMBL12875697 0.72 SIRT5 (0.44) KLKB1KLK1MEN1KMT2AAKR1B1
SCHEMBL21875358 0.71 DNM1L (0.73) KLKB1MEN1KMT2ADNM1L

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-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 KLKB1 3/4885KLK1 6/4885MEN1 766/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 KLKB1 3/4885KLK1 6/4885MEN1 766/4885

“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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