SCHEMBL23769320

SCHEMBL23769320

CCOC(=O)c1cn(Cc2cnc(N3CC4CC4C3)cc2Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
KLKB1 P03952 6/20 0.40
SMO Q99835 2/20 0.38
CCR4 P51679 1/20 0.36
BTK Q06187 4/20 0.35
AURKA O14965 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
FLT3 P36888 1/20 0.33
AURKB Q96GD4 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
P2RY12 Q9H244 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL23769202 0.90 BTK (0.42) NOTUMKLKB1SMOBTK
SCHEMBL23773116 0.86 BTK (0.44) NOTUMKLKB1BTKKMT2A
SCHEMBL23769317 0.86 BTK (0.44) NOTUMKLKB1BTKKMT2A
SCHEMBL23843090 0.86 KLKB1 (0.40) KLKB1BTK
SCHEMBL23754065 0.83 KLKB1 (0.45) NOTUMKLKB1GABRA2GABRB2KMT2A
SCHEMBL21736670 0.82 KLKB1 (0.56) NOTUMKLKB1BTKP2RY12KMT2A
SCHEMBL23769313 0.81 KLKB1 (0.48) NOTUMKLKB1P2RY12KMT2ALMNA
SCHEMBL23843083 0.81 BTK (0.47) KLKB1BTKP2RY12
SCHEMBL23769205 0.81 BTK (0.47) KLKB1BTKP2RY12
SCHEMBL21736652 0.80 KLKB1 (0.47) KLKB1

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 NOTUM 627/4885KLKB1 1/4885SMO 3734/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NOTUM 627/4885KLKB1 1/4885SMO 3734/4885

“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.