SCHEMBL4013238

SCHEMBL4013238

c1cnc(-c2c[nH]nn2)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
TP53 P04637 2/20 0.34
CLK4 Q9HAZ1 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL18670804 0.98 KDM4E (0.34) KDM4ETP53
SCHEMBL30604624 0.98 KDM4E (0.34) KDM4ETP53
SCHEMBL28999623 0.94 KDM4E (0.32) KDM4ETP53
SCHEMBL28999633 0.92 KDM4E (0.32) KDM4ETP53
SCHEMBL10142595 0.82 KDM4E (0.44) KDM4ETP53TDP1NPC1ALDH1A1
SCHEMBL1007639 0.79
SCHEMBL27755744 0.76 METAP2 (0.36)
SCHEMBL87533 0.76
SCHEMBL503234 0.76 KDM4E (0.61) KDM4ETP53TDP1NPC1ALDH1A1
SCHEMBL10882681 0.74 MEN1 (0.33) NPC1RAB9A

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205507-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-10-26 WO claimed
CN-116082410-A Bidentate pyrimidinyl triazole carbene palladium hydrated 3-pyridine sulfonate compound, and preparation method and application thereof 江苏科技大学 2023-05-09 CN claimed
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN claimed
CN-101553233-A Kinase inhibitors useful for the treatment of myleoproliferative diseases and other proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN claimed
CN-101516379-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-08-26 CN claimed
US-20050143578-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2005-06-30 US claimed
EP-1434772-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP claimed
US-20040192914-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-09-30 US claimed
EP-1434772-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-07-07 EP claimed
WO-2003031434-A1 COMPOUNDS AND METHODS SMITH KLINE BEECHAM CORPORATION (US) 2003-04-17 WO claimed
EP-0116341-B1 2H-V-TRIAZOLYL(4,5-D)-PYRIMIDINES AND THEIR USE BASF Aktiengesellschaft (DE) 1986-05-07 EP claimed
EP-0116341-A1 2H-V-Triazolyl(4,5-D)-pyrimidines and their use BASF Aktiengesellschaft (DE) 1984-08-22 EP claimed
EP-4414364-A4 PYRIMIDINYL TRIAZOLE COMPOUND OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND PEST CONTROL METHOD NIHON NOHYAKU CO LTD (JP) 2025-09-24 EP disclosed
US-20250228241-A1 PYRIMIDINYL TRIAZOLE COMPOUND OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND PEST CONTROL METHOD NIHON NOHYAKU CO., LTD. (JP) 2025-07-17 US disclosed
US-20250228241-A1 PYRIMIDINYL TRIAZOLE COMPOUND OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND PEST CONTROL METHOD NIHON NOHYAKU CO., LTD. (JP) 2025-07-17 US disclosed
CN-116082410-B Bidentate pyrimidinyl triazole carbene palladium hydrated 3-pyridine sulfonate compound, and preparation method and application thereof 江苏科技大学 2025-07-15 CN disclosed
EP-0116341-A1 2H-V-Triazolyl(4,5-D)-pyrimidines and their use BASF Aktiengesellschaft (DE) 1984-08-22 EP disclosed
US-4302586-A FLUORESCENT WHITENERS CIBA-GEIGY CORPORATION (US) 1981-11-24 US disclosed
US-4302586-A FLUORESCENT WHITENERS CIBA-GEIGY CORPORATION (US) 1981-11-24 US disclosed
US-4269980-A TRANQUILIZERS; ANTICONVULSANTS AMERICAN CYANAMID COMPANY (US) 1981-05-26 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 (3 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-20040192914-A1 Compounds and methods METAP2, METAP1, DNPEP KDM4E 1697/4885TP53 1686/4885CLK4 4445/4885
US-20050143578-A1 Compounds and methods METAP2, METAP1, DNPEP KDM4E 1531/4885TP53 1822/4885CLK4 4468/4885
US-20250228241-A1 PYRIMIDINYL TRIAZOLE COMPOUND OR SALT THEREOF, PEST CONTROL AGENT CONTAINING SAID COMPOUND AS ACTIVE INGREDIENT, AND PEST CONTROL METHOD WASHC5, TAC3, PSTPIP2 KDM4E 1371/4885TP53 4173/4885CLK4 3881/4885

“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.