SCHEMBL21025441

SCHEMBL21025441

CC(C)(C)c1cnn2cccc2n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.33
JAK2 O60674 3/20 0.31
JAK3 P52333 3/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL6370773 0.76 DYRK1A (0.44) KDM4E
SCHEMBL19154030 0.75 CYP11B2 (0.36) CYP11B2JAK2JAK3KDM4E
SCHEMBL12309185 0.72 RBP4 (0.33) KDM4E
SCHEMBL21025444 0.70 GRN (0.32) CYP11B2JAK2JAK3KDM4E
SCHEMBL18238520 0.70 CYP11B2 (0.33) CYP11B2JAK2JAK3JAK1TYK2
SCHEMBL15679454 0.69 KDM4E (0.35) KDM4E
SCHEMBL6202914 0.67 PDE10A (0.33)
Hydrochloric Acid SCHEMBL1605985 0.64 PDE10A (0.32)
SCHEMBL10220083 0.64 JAK2 (0.46) CYP11B2JAK2JAK3KDM4E
SCHEMBL10129490 0.64 SSTR4 (0.48) KDM4E

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-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2021-11-18 US disclosed
US-10683297-B2 Substituted heteroaryl compounds and methods of use CALITOR SCIENCES, LLC (US) 2020-06-16 US disclosed
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Northern Industrial Area, (CN) 2019-05-23 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-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 CYP11B2 4076/4885JAK2 164/4885JAK3 1624/4885
US-20190152977-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE PRKACA, PRKDC, PRKACB CYP11B2 446/4885JAK2 214/4885JAK3 181/4885
US-10683297-B2 Substituted heteroaryl compounds and methods of use PRKACA, PRKDC, PRKACB CYP11B2 446/4885JAK2 214/4885JAK3 181/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 CYP11B2 4137/4885JAK2 172/4885JAK3 1667/4885

“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.