SCHEMBL22191183

SCHEMBL22191183

Fc1ccc(CNc2ncc(-c3ccc4[nH]ccc4c3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.50
▸ MAP3K11 Q16584 6/20 0.49
▸ AHR P35869 1/20 0.49
▸ CYP17A1 P05093 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ TNIK Q9UKE5 2/20 0.46
▸ DYRK1A Q13627 2/20 0.45
▸ DYRK2 Q92630 2/20 0.45
▸ DYRK1B Q9Y463 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ RPS6KB1 P23443 1/20 0.43
▸ CDK1 P06493 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ NPC1 O15118 1/20 0.42

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
SCHEMBL22191246 0.90 CNR2 (0.50) CNR2AHRTNIKCYP2D6RPS6KB1
SCHEMBL22191330 0.88 GPR55 (0.56) CNR2MAP3K11AHRCYP17A1CYP11B1
SCHEMBL22190928 0.87 NPC1 (0.55) MAP3K11CYP17A1CYP11B1CYP11B2DYRK1A
SCHEMBL22191520 0.80 QPCT (0.52) CYP2D6PIK3CAMTORRPS6KB1CYP2C9
SCHEMBL22190998 0.79 GAA (0.47) DYRK1ACYP2D6CYP2C9
SCHEMBL22191594 0.78 GPR55 (0.56) CNR2MAP3K11AHRCYP2D6CYP2C9
SCHEMBL22191705 0.77 BACE1 (0.54) MAP3K11DYRK1ACLK1PIK3CDPIK3CA
SCHEMBL2255614 0.76 FYN (0.60) DYRK1ADYRK2DYRK1BPIK3CA
SCHEMBL856313 0.76 AHR (0.70) MAP3K11AHRCYP17A1CYP11B1CYP11B2
SCHEMBL22202119 0.75 MAP3K11 (0.42) MAP3K11AHRCYP17A1CYP11B1CYP11B2

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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 — — US disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 — — CN disclosed
WO-2020142486-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — 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 (1 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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 CNR2 925/4885MAP3K11 32/4885AHR 3546/4885

“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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