SCHEMBL21536087

SCHEMBL21536087

CC(C)c1nc(CC(C)c2ccc(C#N)cn2)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MBOAT4 Q96T53 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ MET P08581 1/20 0.30
▸ PANK3 Q9H999 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
SCHEMBL21536492 0.88 HSD11B1 (0.35) AURKAGRK6MDM2
SCHEMBL23776206 0.82 OPRD1 (0.37) ESR1ESR2
SCHEMBL21245968 0.74 ESR1 (0.34) ESR1ESR2
SCHEMBL23503056 0.72 AR (0.32) KDM4EALDH1A1L3MBTL1
SCHEMBL16311933 0.71 ALDH1A1 (0.41) AURKAGRK6ESR1ESR2SCN10A
SCHEMBL15316713 0.70 NOS3 (0.34) ESR1KDM4EKCNH2
SCHEMBL2737290 0.70 ALDH1A1 (0.46) SCN10AKDM4EALDH1A1L3MBTL1GRM5
SCHEMBL19919593 0.69 ESR1 (0.37) ESR1ESR2
SCHEMBL21024658 0.68 KDM4E (0.40) AURKAGRK6ESR1ESR2SCN10A
SCHEMBL20133641 0.68 KDM4E (0.31) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 — — US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 — — 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 AURKA 3062/4885GRK6 3578/4885ESR1 4465/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 AURKA 3062/4885GRK6 3578/4885ESR1 4465/4885

“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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