SCHEMBL20939740

SCHEMBL20939740

Cc1cnn2c1CNCCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
CXCR4 P61073 4/20 0.32
CHRNB2 P17787 2/20 0.30
CHRNA4 P43681 2/20 0.30
SSTR4 P31391 1/20 0.30
HTR2A P28223 3/20 0.30
HTR2C P28335 2/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
HTR3A P46098 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL16217173 0.89 PDCD1 (0.35) CYP11B1CYP11B2CHRNB2CHRNA4HTR2A
SCHEMBL31207890 0.79 CXCR4 (0.38) CYP11B1CYP11B2CXCR4CHRNB2CHRNA4
SCHEMBL25920482 0.78 LRRK2 (0.36) CYP11B1CYP11B2CXCR4SSTR4
SCHEMBL24053823 0.77
SCHEMBL13684190 0.75
SCHEMBL6842210 0.73 CYP11B1 (0.44) CYP11B1CYP11B2SSTR4
SCHEMBL30793511 0.72 SPR (0.34) CXCR4SSTR4
SCHEMBL30793786 0.72 CREBBP (0.39) CXCR4SSTR4
SCHEMBL31739404 0.72 RPS6KB1 (0.40) CXCR4CHRNB2CHRNA4SSTR4
SCHEMBL20861635 0.72 CYP11B1 (0.43) CYP11B1CYP11B2SSTR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS MIRATI THERAPEUTICS INC (US) 2025-12-04 US disclosed
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 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 (4 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 CYP11B1 1313/4885CYP11B2 1589/4885CXCR4 2577/4885
US-20250368649-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS KRAS, NRAS, HRAS CYP11B1 3207/4885CYP11B2 3917/4885CXCR4 1321/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB CYP11B1 1456/4885CYP11B2 1810/4885CXCR4 2629/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 CYP11B1 1313/4885CYP11B2 1589/4885CXCR4 2577/4885

“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.