SCHEMBL446537

SCHEMBL446537

c1cncc(-c2cc[nH]n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
CYP3A4 P08684 4/20 0.55
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2A6 P11509 10/20 0.54
ALK Q9UM73 1/20 0.51
BTK Q06187 1/20 0.49
CYP2C9 P11712 2/20 0.47
CYP2B6 P20813 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL29960290 1.00 METAP2 (0.56) METAP2SIRT3CYP3A4ALDH1A1CYP1A2
SCHEMBL5025498 0.90 CYP2A6 (0.49) METAP2SIRT3CYP3A4ALDH1A1CYP1A2
1-Propanethiol SCHEMBL5017380 0.87 CYP2A6 (0.47) METAP2SIRT3CYP3A4ALDH1A1CYP1A2
Butylamine SCHEMBL27685215 0.83 CYP3A4 (0.47) METAP2SIRT3CYP3A4ALDH1A1CYP1A2
SCHEMBL12277978 0.80 KDM4E (0.54) METAP2SIRT3CYP3A4ALDH1A1CYP1A2
Niacinamide SCHEMBL28655386 0.79 F7 (0.59) SIRT3ALDH1A1LMNAMAPTHPGD
SCHEMBL12278118 0.79 CYP2A6 (0.44) METAP2SIRT3CYP3A4ALDH1A1CYP1A2
Pyrimidine SCHEMBL28120108 0.78 CYP1A2 (0.40) METAP2SIRT3ALDH1A1CYP1A2CYP2A6
SCHEMBL3507950 0.78 BTK (0.47) METAP2SIRT3CYP3A4ALDH1A1CYP1A2
SCHEMBL14900162 0.78 ALK (0.43) METAP2SIRT3CYP3A4ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682461-B Pesticidal combination and relative method 美国陶氏益农公司 2019-06-14 CN claimed
CN-103910763-B Water-soluble iron complex and its preparation method and use 苏州大学 2017-02-01 CN claimed
EP-3060046-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-08-31 EP claimed
CN-105682461-A Pesticidal compositions and related methods 美国陶氏益农公司 2016-06-15 CN claimed
WO-2015061161-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO claimed
CN-101024660-B Peroxo vanadium complex and its preparing method and crystal culture UNIV HENAN SCIENCE & TECH 2011-03-23 CN claimed
CN-101024653-B 2-peroxo-vanadium-potassium salt complex, its preparing method and mono-crystal culture UNIV HENAN SCIENCE & TECH 2011-03-23 CN claimed
CN-101024660-A Peroxo vanadium complex and its preparing method and culturation HUNAN SCIENCE TECHNOLOGY UNIV (CN) 2007-08-29 CN claimed
CN-101024653-A 2-peroxo-vanadium-potassium salt complex, its preparing method and mono-crystal culturation HUNAN SCIENCE TECHNOLOGY UNIV (CN) 2007-08-29 CN claimed
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2025-12-25 US disclosed
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
US-20250288589-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. 2025-09-18 US disclosed
EP-4556476-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF Ildong Pharmaceutical Co., Ltd. (KR) 2025-05-21 EP disclosed
CN-119708069-A Bivalent platinum complex, preparation method and application thereof, and organic photoelectric device 中国石油化工股份有限公司 2025-03-28 CN disclosed
WO-1998021199-A2 PYRAZOLE DERIVATIVES USEFUL AS HERBICIDES NOVARTIS AG (CH) 1998-05-22 WO disclosed
WO-1994029300-A1 PYRAZOLE FUNGICIDES 3-SUBSTITUTED BY A HETEROCYCLIC RING RHONE POULENC AGROCHIMIE (FR) 1994-12-22 WO disclosed
US-5227394-A PYRAZOLE DERIVATIVES, COMPOSITIONS AND USE AKZO N.V. (NL) 1993-07-13 US disclosed
EP-0525879-A1 Pyrazole derivatives Akzo Nobel N.V. (NL) 1993-02-03 EP disclosed
CN-85105299-A The preparation method of cephem compounds 1987-01-07 CN disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP 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-20250288589-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE PNPO, DPYD, PYGB METAP2 246/4885SIRT3 918/4885CYP3A4 1035/4885
US-20250388582-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF GBA1, PIKFYVE, MAN2B1 METAP2 3499/4885SIRT3 3930/4885CYP3A4 4110/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE METAP2 2227/4885SIRT3 4346/4885CYP3A4 3989/4885

“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.