SCHEMBL23769178

SCHEMBL23769178

CCOC(=O)c1cn(Cc2ccc(N3CC4CC4C3)cn2)nn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
GLA P06280 1/20 0.42
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KLKB1 P03952 2/20 0.38
BTK Q06187 3/20 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
SCHEMBL23769319 0.87 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL23769332 0.85 BTK (0.40) KLKB1BTK
SCHEMBL23769182 0.83 BTK (0.40) ALDH1A1SMN1; SMN2HPGDTSHRKLKB1
SCHEMBL23754049 0.83 NOTUM (0.42) ALDH1A1LMNATP53KLKB1
SCHEMBL18795046 0.81 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL20541015 0.78 KLKB1 (0.56) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL31033209 0.78 KLKB1 (0.56) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL20541006 0.77 KLKB1 (0.57) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL18816741 0.77 BTK (0.57) ALDH1A1LMNASMN1; SMN2HPGDGLA
SCHEMBL30140633 0.77 KLKB1 (0.57) ALDH1A1LMNASMN1; SMN2HPGDGLA

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-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 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 (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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1223/4885LMNA 2081/4885SMN1; SMN2 4693/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1223/4885LMNA 2081/4885SMN1; SMN2 4693/4885

“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.