SCHEMBL16120666

SCHEMBL16120666

CSc1ncc(/C=C/C#N)c(Nc2ccn(C)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ GCK P35557 9/20 0.36
▸ MAPK1 P28482 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MAPK8 P45983 1/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ PRKD1 Q15139 1/20 0.32
▸ PRKD2 Q9BZL6 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ MAP3K14 Q99558 1/20 0.31

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
SCHEMBL17709583 1.00 LRRK2 (0.38) LRRK2KDM4EGCKMAPK1PIK3CA
SCHEMBL16120490 0.82 LRRK2 (0.42) LRRK2KDM4EGCKMAPK1PIK3CA
SCHEMBL16120498 0.80 LRRK2 (0.35) LRRK2GCKMAPK1PIK3CAMAPK8
SCHEMBL17709546 0.80 LRRK2 (0.35) LRRK2GCKMAPK1PIK3CAMAPK8
SCHEMBL22631934 0.80 LRRK2 (0.35) LRRK2GCKMAPK1PIK3CAMAPK8
SCHEMBL4712741 0.76 KDM4E (0.39) KDM4E
SCHEMBL16120492 0.76 KDM4E (0.39) KDM4E
SCHEMBL16120669 0.75 ALK (0.49) —
SCHEMBL17709566 0.75 ALK (0.49) —
SCHEMBL12197611 0.75 LRRK2 (0.42) LRRK2KDM4EGCKMAPK1PIK3CA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 — — EP disclosed
EP-3733184-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 — — EP disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 — — EP disclosed
EP-3733184-A1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Icahn School of Medicine at Mount Sinai (US) 2020-11-04 — — EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 — — EP disclosed
EP-2968331-B1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-01 — — EP disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US disclosed
US-9815847-B2 Pyrimidine compounds as kinase inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2017-11-14 — — US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US disclosed
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2016-05-05 — — US disclosed
WO-2014151682-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-09-25 — — 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-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK LRRK2 1079/4885KDM4E 1444/4885GCK 558/4885

“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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