SCHEMBL22191246

SCHEMBL22191246

Fc1ccc(CNc2ncc(-c3ccc4cc[nH]c4c3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.50
▸ AHR P35869 1/20 0.49
▸ BACE1 P56817 1/20 0.47
▸ SYK P43405 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ QPCT Q16769 1/20 0.42
▸ CDK1 P06493 2/20 0.41
▸ KDR P35968 2/20 0.41

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
SCHEMBL22191183 0.90 CNR2 (0.50) CNR2AHRCYP2D6CYP2C9CDK1
SCHEMBL22191594 0.88 GPR55 (0.56) CNR2AHRBACE1KDM4EMEN1
SCHEMBL22191705 0.87 BACE1 (0.54) BACE1SYKCDK1KDRABL1
SCHEMBL22190998 0.79 GAA (0.47) KDM4EMEN1ALDH1A1CYP1A2GAA
SCHEMBL22191330 0.78 GPR55 (0.56) CNR2AHRKDM4EALDH1A1HPGD
SCHEMBL22191520 0.78 QPCT (0.52) KDM4EMEN1ALDH1A1CYP1A2GAA
SCHEMBL22190928 0.77 NPC1 (0.55) BACE1CYP2D6CYP2C9CDK1KDR
SCHEMBL24137503 0.77 MAP2K4 (0.55) SYKKDRABL1RPS6KB1MAP2K4
SCHEMBL147946 0.76 AHR (0.70) CNR2AHRKDM4EMEN1ALDH1A1
SCHEMBL22191346 0.73 DYRK1A (0.48) KDM4EMEN1ALDH1A1CYP1A2GAA

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 925/4885AHR 3546/4885BACE1 639/4885

“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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