SCHEMBL20447388

SCHEMBL20447388

Cc1nccc(-c2ccc(O)c(C(F)(F)F)n2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 9/20 0.50
▸ CDK5 Q00535 1/20 0.38
▸ CDK5R1 Q15078 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SORT1 Q99523 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CDK2 P24941 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22337526 0.75 KMT2A (0.44) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL9355962 0.74 KDM4E (0.53) AAK1KDM4ELMNAMEN1KMT2A
SCHEMBL3211550 0.71 KDM4E (0.45) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL29693661 0.70 MEN1 (0.35) KDM4EMEN1KMT2A
SCHEMBL21508347 0.69 AAK1 (0.65) AAK1
SCHEMBL20446713 0.69 AAK1 (0.64) AAK1
SCHEMBL22321627 0.68 KIF11 (0.47) KDM4EALDH1A1POLBRAB9A
SCHEMBL15888381 0.68 KDM4E (0.54) AAK1KDM4ELMNAMEN1KMT2A
SCHEMBL31301320 0.68 KDM4E (0.54) AAK1KDM4ELMNAMEN1KMT2A
SCHEMBL20446939 0.68 KMO (0.50) AAK1KDM4ELMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112142655-A Biaryl kinase inhibitors 百时美施贵宝公司 2020-12-29 — — CN disclosed
CN-108368084-B Biaryl kinase inhibitors 百时美施贵宝公司 2020-10-16 — — CN disclosed
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 — — US disclosed
US-10544120-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-28 — — US disclosed
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 — — EP disclosed
EP-3356340-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 — — EP disclosed
US-20180346440-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-12-06 — — US disclosed
EP-3356340-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2018-08-08 — — EP 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-20180346440-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 AAK1 1/4885CDK5 576/4885CDK5R1 584/4885
US-10544120-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 AAK1 1/4885CDK5 576/4885CDK5R1 584/4885

“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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