SCHEMBL22191517

SCHEMBL22191517

Fc1ccccc1Nc1ncc(I)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.46
▸ MAPK10 P53779 2/20 0.45
▸ AURKA O14965 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ P4HTM Q9NXG6 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK8 P45983 2/20 0.40
▸ CDK4 P11802 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK9 P45984 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29398215 0.85 PTK2 (0.48) PTK2MAPK10AURKAMAPTMEN1
SCHEMBL3951907 0.80 AURKA (0.56) PTK2MAPK10AURKAMAPTMEN1
SCHEMBL18434144 0.79 PTK2 (0.44) PTK2MAPK10AURKAMAPTMEN1
SCHEMBL22191092 0.78 HDAC3 (0.58) PTK2AURKAMAPTKMT2ANPC1
SCHEMBL18434243 0.77 PTK2 (0.46) PTK2MAPK10AURKAPOLBMAPK8
SCHEMBL22902685 0.77 PTK2 (0.43) PTK2MAPK10AURKAMAPTMEN1
SCHEMBL17110620 0.76 POLB (0.56) PTK2MAPK10AURKAMAPTPOLB
SCHEMBL18433847 0.75 SMN1; SMN2 (0.51) PTK2MAPK10MAPTMAPK8NPC1
SCHEMBL22191522 0.74 LRRK2 (0.56) PTK2MAPK10AURKAMAPTMEN1
SCHEMBL22191110 0.73 VNN1 (0.61) MAPTMEN1KMT2APOLBSMN1; SMN2

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 PTK2 216/4885MAPK10 279/4885AURKA 541/4885

“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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