SCHEMBL22191365

SCHEMBL22191365

O=c1[nH]c2ccc(-c3cnc(Nc4cccc(F)c4)nc3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCND2 P30279 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ GRIA1 P42261 3/20 0.42
▸ CACNG8 Q8WXS5 3/20 0.42
▸ AURKB Q96GD4 4/20 0.41
▸ MAP4K4 O95819 3/20 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
SCHEMBL22190851 0.87 MAPT (0.48) KDM4EPDE3BPDE3ADYRK1AGRIA1
SCHEMBL22191685 0.87 RET (0.51) JAK1JAK3MEN1KMT2AKDM4E
SCHEMBL22191468 0.86 HDAC3 (0.49) GRM5JAK1JAK3PDE3BPDE3A
SCHEMBL22191259 0.83 USP2 (0.50) JAK1JAK3MEN1KMT2AMAPK1
SCHEMBL27114880 0.82 CDK4 (0.53) CDK4AURKBPDGFRBPDGFRAPRKACA
SCHEMBL22191321 0.81 DYRK1A (0.48) MEN1KMT2AKDM4EMAPK1PDE3B
SCHEMBL22190930 0.80 AURKB (0.44) KDM4EPDE3BPDE3ADYRK1AGRIA1
SCHEMBL22190814 0.80 GRIA1 (0.48) GRM5JAK1JAK3MEN1KMT2A
SCHEMBL22191405 0.77 HDAC3 (0.47) GRM5MEN1KMT2AKDM4EPDE3B
SCHEMBL22190998 0.76 GAA (0.47) MEN1KMT2AKDM4EPDE3BPDE3A

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 GRM5 1653/4885JAK1 231/4885JAK3 302/4885

“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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