SCHEMBL721780

SCHEMBL721780

CSc1nc(Cl)c(I)c(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSP90AB1 P08238 1/20 0.34
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HSP90AA1 P07900 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 3/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 2/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
LMNA P02545 2/20 0.30
HTT P42858 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL15457567 0.88 KMT2A (0.33) KMT2ACYP1A2CYP2C9CYP2C19HSP90AB1
SCHEMBL1935371 0.86 KMT2A (0.36) KMT2ACYP1A2CYP2C9CYP2C19HSP90AB1
SCHEMBL717500 0.84 KMT2A (0.33) KMT2ACYP1A2CYP2C9CYP2C19POLB
SCHEMBL719751 0.84 HSP90AB1 (0.38) KMT2ACYP1A2CYP2C9CYP2C19HSP90AB1
SCHEMBL16209522 0.81 L3MBTL1 (0.43) KMT2ACYP1A2CYP2C9CYP2C19MAPT
SCHEMBL12036982 0.80
SCHEMBL6244063 0.80 CYP1A2 (0.39) CYP1A2CYP2C19LMNA
SCHEMBL22574603 0.78 KMT2A (0.38) KMT2ACYP1A2CYP2C9CYP2C19HSP90AB1
SCHEMBL31512692 0.77 LMNA (0.36) KMT2AMAPTL3MBTL1MEN1ALDH1A1
SCHEMBL28960187 0.76 KMT2A (0.37) KMT2ACYP1A2CYP2C9CYP2C19HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 EP disclosed
CN-119968373-A Aromatic heterocyclic compound and preparation method thereof 上海翊石医药科技有限公司 2025-05-09 CN disclosed
WO-2025051214-A1 AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR 上海翊石医药科技有限公司 2025-03-13 WO disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 WO disclosed
CN-117417355-A Fused heterocyclic compound, preparation method and application thereof 上海翊石医药科技有限公司 2024-01-19 CN disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 WO disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
US-20100179127-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2010-07-15 US disclosed
EP-1896428-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS Novartis AG (CH) 2008-03-12 EP disclosed
WO-2006136442-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OP GABA B MEDIATED NERVOUS SYSTEM DISORDERS NOVARTIS AG (CH) 2006-12-28 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-20100179127-A1 PYRIMIDINE DERIVATIVES DPYD, NUDT1, HPRT1 KMT2A 2439/4885CYP1A2 1849/4885CYP2C9 1233/4885
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP KMT2A 2226/4885CYP1A2 210/4885CYP2C9 221/4885

“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.