SCHEMBL6449580

SCHEMBL6449580

c1cnc(-c2ccncn2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 4/20 0.41
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK14 Q16539 3/20 0.40
MAPK9 P45984 2/20 0.40
MAPK11 Q15759 2/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK12 P53778 1/20 0.40
CYP2D6 P10635 1/20 0.39
GRM5 P41594 1/20 0.39
CYP19A1 P11511 1/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36

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
SCHEMBL29627704 1.00 HSP90AA1 (0.42) HSP90AA1KDM4ETP53TDP1MAPK14
SCHEMBL5989213 0.87 HSP90AA1 (0.44) HSP90AA1MAPK14MAPK9MAPK11MAPK13
SCHEMBL25295479 0.82 TP53 (0.48) HSP90AA1TP53MAPK14MAPK9MAPK11
SCHEMBL29430257 0.82 TP53 (0.48) HSP90AA1TP53MAPK14MAPK9MAPK11
SCHEMBL2814353 0.81 HSP90AA1 (0.52) HSP90AA1KDM4EMAPK14MAPK9MAPK11
SCHEMBL30595872 0.81 HSP90AA1 (0.52) HSP90AA1KDM4EMAPK14MAPK9MAPK11
SCHEMBL5788253 0.79 GRM5 (0.39) HSP90AA1MAPK14MAPK9MAPK11MAPK13
SCHEMBL21315705 0.78 KDM4E (0.55) HSP90AA1KDM4ETP53TDP1GRM5
SCHEMBL13910999 0.78 HSP90AA1 (0.50) HSP90AA1MAPK14MAPK9MAPK11MAPK13
SCHEMBL29394083 0.78 KDM4E (0.67) HSP90AA1KDM4ETP53TDP1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3892617-B1 FLUORINATED PYRIMIDINE COMPOUND AND PRODUCTION METHOD THEREFOR UNIMATEC CO LTD (JP) 2025-04-30 EP disclosed
US-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same UNIMATEC CO., LTD. (JP) 2024-07-23 US disclosed
CN-112739689-B Fluorine-containing pyrimidine compound and method for producing same 优迈特株式会社 2022-06-03 CN disclosed
US-20210403455-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING THE SAME UNIMATEC CO., LTD. (JP) 2021-12-30 US disclosed
EP-3892617-A1 FLUORINATED PYRIMIDINE COMPOUND AND PRODUCTION METHOD THEREFOR Unimatec Co., Ltd. (JP) 2021-10-13 EP disclosed
CN-112739689-A Fluorine-containing pyrimidine compound and method for producing same 优迈特株式会社 2021-04-30 CN disclosed
WO-2020116296-A1 FLUORINATED PYRIMIDINE COMPOUND AND PRODUCTION METHOD THEREFOR ユニマテック株式会社 2020-06-11 WO disclosed
EP-3466932-A1 PRODUCTION METHOD FOR BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Kobelco Eco-Solutions Co., Ltd (JP) 2019-04-10 EP disclosed
CN-101535314-A Substituted 8-piperidinyl-2-pyridinyl-pyrimido [1, 2-a ] pyrimidin-6-one and 8-piperidinyl-2-pyrimidinyl-pyrimido [1, 2-a ] pyrimidin-6-one derivatives SANOFI AVENTIS MITSUBISHI TANA (FR) 2009-09-16 CN disclosed
US-6949644-B2 Methods for the synthesis of substituted purines IRM LLC (BM) 2005-09-27 US 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-12043615-B2 Fluorine-containing pyrimidine compound and method for manufacturing the same CNOT1, NUDT1, XRN2 HSP90AA1 2096/4885KDM4E 4521/4885TP53 2258/4885
US-20210403455-A1 FLUORINE-CONTAINING PYRIMIDINE COMPOUND AND METHOD FOR MANUFACTURING THE SAME CNOT1, NUDT1, XRN2 HSP90AA1 2096/4885KDM4E 4521/4885TP53 2258/4885

“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.