SCHEMBL22191616

SCHEMBL22191616

O=c1[nH]c2ccc(-c3cnc(NCc4ccccc4)nc3)cc2n1-c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 9/20 0.42
▸ GRIN2B Q13224 9/20 0.42
▸ PGR P06401 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ VNN1 O95497 2/20 0.40
▸ CLK4 Q9HAZ1 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ CDK2 P24941 1/20 0.37
▸ CLK1 P49759 1/20 0.37

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
SCHEMBL22191186 0.92 PGR (0.48) PGRMEN1KMT2AVNN1LMNA
SCHEMBL29437808 0.92 PGR (0.48) PGRMEN1KMT2AVNN1LMNA
SCHEMBL22190915 0.91 PGR (0.44) GRIN1GRIN2BPGRMEN1KMT2A
SCHEMBL22191436 0.87 PGR (0.41) GRIN1GRIN2BPGRMEN1KMT2A
SCHEMBL22191466 0.84 PGR (0.40) GRIN1GRIN2BPGRVNN1DYRK1A
SCHEMBL22191015 0.80 PGR (0.50) PGRALDH1A1HSD17B10LMNAMAPK1
SCHEMBL22191084 0.79 PGR (0.55) GRIN1GRIN2BPGRMEN1KMT2A
SCHEMBL22191544 0.79 PGR (0.46) PGRMEN1KMT2ALMNACDK2
SCHEMBL22190880 0.78 PGR (0.56) PGR
SCHEMBL22191504 0.77 PGR (0.54) PGR

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 GRIN1 410/4885GRIN2B 561/4885PGR 1927/4885

“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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