SCHEMBL2499014

SCHEMBL2499014

CCOC(=O)c1cnc(SC)nc1Nc1ccn(C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.62
▸ MAPT P10636 6/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPK1 P28482 2/20 0.58
▸ HTT P42858 1/20 0.58
▸ FOS P01100 1/20 0.54
▸ JUN P05412 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 3/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 2/20 0.45

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
SCHEMBL28094563 0.83 SYK (0.41) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL20909971 0.82 SYK (0.41) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL28496543 0.80 SYK (0.67) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL12197611 0.79 LRRK2 (0.42) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1313596 0.79 SYK (0.79) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL24774356 0.79 MAPT (0.65) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4851406 0.79 SYK (0.60) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL29545771 0.78 ALDH1A1 (0.70) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1521842 0.78 ALDH1A1 (0.70) SYKMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL14633390 0.77 MEN1 (0.54) SYKMAPTALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079830-B Inhibitor containing fused ring derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-22 — — CN 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-B1 PYRIMIDINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ICAHN SCHOOL MED MOUNT SINAI (US) 2023-08-30 — — EP disclosed
CN-112079830-A Fused ring-containing derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2020-12-15 — — CN 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
US-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 — — US disclosed
US-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 — — US disclosed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 — — EP disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 — — US disclosed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 — — 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 (2 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-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE2, WEE1, CDKL1 SYK 2126/4885MAPT 4346/4885ALDH1A1 871/4885
US-20160122361-A1 PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS DCK, TK1, DTYMK SYK 1391/4885MAPT 2299/4885ALDH1A1 2846/4885

“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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