SCHEMBL16246788

SCHEMBL16246788

CCOC(=O)c1cncn1Cc1ccc(Cn2cc(C)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
KLKB1 P03952 10/20 0.43
LMNA P02545 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 0.42
ABCB11 O95342 1/20 0.42
GABRA2 P47869 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KLK1 P06870 2/20 0.40
NOD2 Q9HC29 1/20 0.39
NOD1 Q9Y239 1/20 0.39
RECQL P46063 1/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14476466 0.82 CYP11B2 (0.54) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL15652817 0.82 CYP11B1 (0.54) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL16380792 0.81 CYP11B1 (0.57) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL31138699 0.81 CYP11B1 (0.56) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL16246754 0.80 KLKB1 (0.57) KLKB1LMNANPC1ALDH1A1
SCHEMBL16246792 0.77 KLKB1 (0.61) KLKB1LMNANPC1ALDH1A1KLK1
SCHEMBL16246834 0.76 KLKB1 (0.55) KLKB1LMNANPC1
SCHEMBL15804420 0.76 CYP11B1 (0.48) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL16246700 0.75 KLKB1 (0.49) KLKB1LMNANPC1
SCHEMBL6799487 0.75 CYP11B2 (0.48) CYP11B1CYP11B2LMNACYP1A2CYP3A4

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
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
EP-3305778-A1 INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2018-04-11 EP disclosed
EP-2999697-B1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LTD (GB) 2017-04-19 EP disclosed
US-9533987-B2 Heterocyclic derivates KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-01-03 US disclosed
US-20160108036-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-04-21 US disclosed
EP-2999697-A1 HETEROCYCLIC DERIVATES Kalvista Pharmaceuticals Limited (GB) 2016-03-30 EP disclosed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 WO 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-20160108036-A1 HETEROCYCLIC DERIVATES BDKRB1, KLKB1, BDKRB2 CYP11B1 194/4885CYP11B2 238/4885KLKB1 2/4885

“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.