SCHEMBL29454745

SCHEMBL29454745

c1cnc(-c2cnccn2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP1A2 P05177 1/20 0.45
PIM1 P11309 2/20 0.44
CYP2D6 P10635 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
METAP2 P50579 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
BAZ2B Q9UIF8 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 1/20 0.40
MC4R P32245 1/20 0.40
ADRA1A P35348 1/20 0.40
MC3R P41968 1/20 0.40

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
SCHEMBL78566 1.00 NISCH (0.50) NISCHHSP90AA1CYP1A2PIM1CYP2D6
SCHEMBL29598957 1.00 NISCH (0.50) NISCHHSP90AA1CYP1A2PIM1CYP2D6
SCHEMBL9794662 0.97 NISCH (0.48) NISCHHSP90AA1CYP1A2PIM1CYP2D6
SCHEMBL31372462 0.97 NISCH (0.48) NISCHHSP90AA1CYP1A2PIM1CYP2D6
SCHEMBL14053846 0.97 NISCH (0.48) NISCHHSP90AA1CYP1A2PIM1CYP2D6
Hydrochloric Acid SCHEMBL3640139 0.97 NISCH (0.48) NISCHHSP90AA1CYP1A2PIM1CYP2D6
Hydrochloric Acid SCHEMBL30272980 0.94 NISCH (0.46) NISCHHSP90AA1CYP1A2PIM1CYP2D6
SCHEMBL5321481 0.88 NISCH (0.43) NISCHHSP90AA1CYP1A2PIM1CYP2D6
Bicarbonate SCHEMBL31484615 0.86 HCAR2 (0.56) NISCHHSP90AA1CYP1A2PIM1METAP2
SCHEMBL29713632 0.86 NISCH (0.42) NISCHHSP90AA1CYP1A2PIM1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120081719-A Method for promoting exchange of aromatic ring system hydrogen and deuterium through hydrothermal reaction 北京高压科学研究中心 2025-06-03 CN claimed
CN-120060869-A Electrocatalytic synthesis method of aryl sulfone compound 平顶山学院 2025-05-30 CN claimed
CN-113943314-B For semiconductor manufacture is a photoresist of (a) 台湾积体电路制造股份有限公司 2025-05-09 CN claimed
CN-119775215-A Spin-control-induced CO2 reduction catalytic material and preparation and application methods thereof 常州大学 2025-04-08 CN claimed
US-20240342161-A1 BISBENZYLISOQUINOLINES AS CONDITIONING AGENTS FOR IMMUNE THERAPY Escend Pharmaceuticals, Inc. 2024-10-17 US claimed
CN-116676603-A Electrochemical synthesis method of 2,2' -bipyrazine 济南悟通生物科技有限公司 2023-09-01 CN claimed
CN-116096127-A Laminated light-emitting field effect transistor and preparation method and application thereof 中国科学院化学研究所 2023-05-09 CN claimed
US-12522598-B2 3-(2-(heteroaryl)-pyridin-4-yl)-5-(trifluoromethyl)-1,2,4-oxadiazole derivatives as HDAC6 inhibitors ORYZON GENOMICS SA (ES) 2026-01-13 US disclosed
CN-119775215-B Spin-control-induced CO2 reduction catalytic material and preparation and application methods thereof 常州大学 2025-10-10 CN disclosed
US-20250213724-A1 RNA CONTAINING COMPOSITION FOR TREATMENT OF TUMOR DISEASES CureVac SE (DE) 2025-07-03 US disclosed
CN-120081719-A Method for promoting exchange of aromatic ring system hydrogen and deuterium through hydrothermal reaction 北京高压科学研究中心 2025-06-03 CN disclosed
CN-120060869-A Electrocatalytic synthesis method of aryl sulfone compound 平顶山学院 2025-05-30 CN disclosed
CN-113943314-B For semiconductor manufacture is a photoresist of (a) 台湾积体电路制造股份有限公司 2025-05-09 CN disclosed
US-20220298156-A1 3-(2-(HETEROARYL)-PYRIDIN-4-YL)-5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOLE DERIVATIVES AS HDAC6 INHIBITORS ORYZON GENOMICS SA (ES) 2022-09-22 US disclosed
EP-4048074-A1 BIOACTIVE COMPOSITION FOR KILLING CELLS AgXX Intellectual Property Holding GmbH (DE) 2022-08-31 EP disclosed
US-20220259240-A1 PROCESS FOR THE PREPARATION OF RUTHENIUM COMPLEXES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2022-08-18 US disclosed
EP-4013764-A1 PROCESS FOR THE PREPARATION OF RUTHENIUM COMPLEXES Johnson Matthey Public Limited Company (GB) 2022-06-22 EP disclosed
WO-2022096751-A1 METHODS FOR DETECTION OF NUCLEOTIDE MODIFICATION BLUECAT IP LIMITED (GB) 2022-05-12 WO disclosed
EP-3980018-A1 4-SUBSTITUTED PYRANO[3,4,B]PYRAZINE KAPPA AGONISTS FOR TREATING DRUG DEPENDENCY The Rockefeller University (US) 2022-04-13 EP disclosed
WO-2022053718-A1 METHOD FOR LABELING NUCLEIC ACID CAMBRIDGE ENTERPRISE LIMITED (GB) 2022-03-17 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 (4 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-20250213724-A1 RNA CONTAINING COMPOSITION FOR TREATMENT OF TUMOR DISEASES RNASE1, RNMT, TRDMT1 NISCH 4798/4885HSP90AA1 924/4885CYP1A2 4808/4885
US-20240342161-A1 BISBENZYLISOQUINOLINES AS CONDITIONING AGENTS FOR IMMUNE THERAPY NFATC1, CTNNB1, CAMK1D NISCH 4739/4885HSP90AA1 1507/4885CYP1A2 4625/4885
US-20220298156-A1 3-(2-(HETEROARYL)-PYRIDIN-4-YL)-5-(TRIFLUOROMETHYL)-1,2,4-OXADIAZOLE DERIVATIVES AS HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 NISCH 4807/4885HSP90AA1 194/4885CYP1A2 3097/4885
US-20220259240-A1 PROCESS FOR THE PREPARATION OF RUTHENIUM COMPLEXES RUVBL1, RUVBL2, RPP30 NISCH 2831/4885HSP90AA1 3676/4885CYP1A2 915/4885

“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.