SCHEMBL1101341

SCHEMBL1101341

COCCOc1cccc2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
RAB9A P51151 4/20 0.69
LMNA P02545 6/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
KDM4E B2RXH2 7/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 4/20 0.62
POLB P06746 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 2/20 0.61
HTT P42858 1/20 0.57
CYP2D6 P10635 1/20 0.57

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 SCHEMBL9052047 0.98 MAPT (0.67) MAPTRAB9ALMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL9438985 0.94 MAPT (0.68) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL2485359 0.92 RAB9A (0.75) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL10707617 0.87 MAPT (0.57) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL29357142 0.86 KDM4E (0.79) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL6031547 0.86 KDM4E (0.79) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL5259486 0.84 RAB9A (0.60) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL2484526 0.84 MAPT (0.66) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL1101354 0.84 RAB9A (0.60) MAPTRAB9ALMNASMN1; SMN2NPC1
SCHEMBL2484185 0.83 MAPT (0.68) MAPTRAB9ALMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084163-B1 TETRACYCLIC INHIBITORS OF CYSTEINE PROTEASES, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2017-04-12 EP claimed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US claimed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US claimed
EP-0445731-B1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER LAMBERT CO (US) 1996-01-10 EP claimed
US-5482938-A Azabicyclo and azacyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1996-01-09 US claimed
CN-1100414-A Preparation of pharmaceutical compound containing novel derivative of leukol SMITHKLINE BECKMAN INTERCREDIT (NL) 1995-03-22 CN claimed
CN-1027368-C Process for preparing substituted quinoline derivatives SMITHKLINE BECKMAN INTERCREDIT (NL) 1995-01-11 CN claimed
CN-1035501-A PROCESS FOR PREPARING SUBSTITUTED QUINOLINE DERIVATIVES SMITHKLINE BECKMAN INTERCREDIT (NL) 1989-09-13 CN claimed
CN-105814040-B The condensed 1,4- dihydro two of inhibitor as thermal excited transcryption factor 1 dislikes ene derivative 癌症研究科技有限公司 2019-07-30 CN disclosed
US-8367825-B2 Substituted pyrimidinyl oxime kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-05 US disclosed
US-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors BATTISTA KATHLEEN A (US) 2012-06-21 US disclosed
US-8153791-B2 substituted pyrimidine compoundssuch as 4-amino-6-(3-chloro-4-fluoro-phenylamino)-pyrimidine-5-carbaldehyde O-methyl oxime, used for treating, preventing or ameliorating a chronic or acute protein kinase mediated diseasea, disorders or conditions JANSSEN PHARMACEUTICA N.V. (BE) 2012-04-10 US disclosed
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
EP-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
EP-0096214-B1 ANTIBACTERIAL PYRIMIDINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-02-27 EP disclosed
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 EP disclosed
US-4587341-A BACTERICIDES BURROUGHS WELLCOME CO. (US) 1986-05-06 US disclosed
EP-0096214-A1 Antibacterial pyrimidine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-12-21 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-20120157412-A1 Substituted Pyrimidinyl Oxime Kinase Inhibitors MAP3K2, MAP3K1, MAP3K20 MAPT 3084/4885RAB9A 3964/4885LMNA 3862/4885
US-20070270425-A1 SUBSTITUTED PYRIMIDINYL OXIME KINASE INHIBITORS MAP3K2, MAP3K1, MAP3K20 MAPT 3084/4885RAB9A 3964/4885LMNA 3862/4885
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK MAPT 2869/4885RAB9A 2802/4885LMNA 3668/4885

“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.