SCHEMBL3340310

SCHEMBL3340310

Cc1nc(N)c2ccccc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.63
CYP1A2 P05177 3/20 0.56
CYP1A1 P04798 2/20 0.56
CYP1B1 Q16678 2/20 0.56
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
NUDT1 P36639 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 2/20 0.52
GLA P06280 2/20 0.52
CASP1 P29466 2/20 0.52
CASP7 P55210 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
NQO2 P16083 1/20 0.52
MAOA P21397 1/20 0.52
DRD1 P21728 1/20 0.52

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
SCHEMBL29663295 1.00 DCPS (0.63) DCPSCYP1A2CYP1A1CYP1B1ALDH1A1
Formic Acid SCHEMBL30454871 0.89 DCPS (0.52) DCPSCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL269636 0.77 DCPS (1.00) DCPSCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL29375878 0.77 DCPS (1.00) DCPSCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL196601 0.77 GPR3 (0.64) CYP1A2ALDH1A1HPGDHSD17B10NUDT1
SCHEMBL29461212 0.76 TDP1 (0.54) CYP1A2ALDH1A1HPGDHSD17B10NUDT1
Ammonia Solution, Strong SCHEMBL2184448 0.76 GPR3 (0.61) CYP1A2ALDH1A1HPGDHSD17B10NUDT1
SCHEMBL856788 0.76 TDP1 (0.54) CYP1A2ALDH1A1HPGDHSD17B10NUDT1
SCHEMBL30468763 0.76 DCPS (0.95) DCPSCYP1A2ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6601650 0.76 DCPS (0.95) DCPSCYP1A2CYP1A1CYP1B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641886-A bicyclic BET bromodomain inhibitors and uses thereof 康威基内有限公司 2019-04-16 CN claimed
US-20240247015-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-07-25 US disclosed
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC BUCK INST RES AGING (US) 2024-07-04 US disclosed
WO-2024123968-A1 RNA TARGETING COMPOUNDS AND USES THEREOF RANAR THERAPEUTICS, INC. (US) 2024-06-13 WO disclosed
WO-2024063576-A1 NOVEL QUINAZOLINE COMPOUND AS KRAS INHIBITOR 일동제약(주) 2024-03-28 WO disclosed
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 US disclosed
CN-117580836-A Pyrimidine ring structure derivative and application thereof 四川汇宇制药股份有限公司 2024-02-20 CN disclosed
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
CN-116478100-A Quinazoline derivative and preparation method and application thereof 浙江海正药业股份有限公司 2023-07-25 CN disclosed
CN-115611865-A Substituted benzo or pyrido pyrimidine amine inhibitor and preparation method and application thereof 苏州泽璟生物制药股份有限公司 2023-01-17 CN disclosed
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-03-16 US disclosed
WO-2005060959-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2005-07-07 WO disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
CN-1420882-A Substd. oxoazaheterocyclyl compounds AVENTIS PHARM PROD INC (US) 2003-05-28 CN disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
CN-1052379-C Quinazoline derisatives DOWELANCO (US) 2000-05-17 CN disclosed
WO-1993013079-A1 ANTIFOLATE QUINAZOLINES AGOURON PHARMACEUTICALS, INC. (US) 1993-07-08 WO disclosed
CN-1035825-A Quinazoline derivant LILLY CO ELI (US) 1989-09-27 CN disclosed
US-4006239-A Benzoic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (5 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 DCPS 460/4885CYP1A2 58/4885CYP1A1 220/4885
US-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 DCPS 3527/4885CYP1A2 2476/4885CYP1A1 2168/4885
US-20060058323-A1 New 8-(3-amino-piperidin-1-yl)-7-(but-2-ynyl)-xanthines, the preparation thereof and their use as pharmaceutical compositions DPP8, DPP4, DPP7 DCPS 147/4885CYP1A2 323/4885CYP1A1 558/4885
US-20240216316-A1 DIHOMO-GAMMA LINOLENIC ACID (DGLA) IS A NOVEL SENOLYTIC DAGLA, DAGLB, MGLL DCPS 1362/4885CYP1A2 3697/4885CYP1A1 3756/4885
US-20240247015-A1 PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS SOST, PPM1D, SOS1 DCPS 1259/4885CYP1A2 3863/4885CYP1A1 2749/4885

“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.