SCHEMBL22191032

SCHEMBL22191032

Fc1ccc(Nc2ncc(I)cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.56
▸ HDAC3 O15379 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TXN P10599 1/20 0.44
▸ KCNH3 Q9ULD8 4/20 0.44
▸ SYK P43405 2/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ STK17A Q9UEE5 2/20 0.41
▸ CDK4 P11802 1/20 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
SCHEMBL22191302 0.80 HDAC3 (0.56) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL2702677 0.80 AURKA (0.56) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL18542558 0.79 HDAC6 (0.53) AURKAHDAC6NPC1RAB9AMEN1
SCHEMBL22191608 0.78 GRM5 (0.49) AURKANPC1RAB9AMEN1MAPT
SCHEMBL24867246 0.77 AURKA (0.53) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL22191045 0.76 HDAC3 (0.59) AURKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL22191080 0.74 VNN1 (0.54) MEN1ALOX12KMT2AKCNH3
SCHEMBL15584251 0.73 AURKA (0.60) AURKANPC1RAB9AMEN1LMNA
SCHEMBL4730581 0.72 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC6
SCHEMBL656765 0.72 AURKA (1.00) AURKASYKSTK17A

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 5 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
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 AURKA 541/4885HDAC3 831/4885HDAC1 739/4885

“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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