SCHEMBL2144346

SCHEMBL2144346

COCCOc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.52
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HIF1A Q16665 1/20 0.47
CYP19A1 P11511 6/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 3/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
HSPB1 P04792 1/20 0.43

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
SCHEMBL29400372 1.00 S1PR4 (0.52) S1PR4HTTALDH1A1HIF1ACYP19A1
SCHEMBL30672731 0.88 S1PR4 (0.66) S1PR4HTTALDH1A1HIF1ACYP19A1
SCHEMBL3441990 0.88 S1PR4 (0.66) S1PR4HTTALDH1A1HIF1ACYP19A1
SCHEMBL16848696 0.86 CYP19A1 (0.61) S1PR4HTTALDH1A1HIF1ACYP19A1
SCHEMBL20335461 0.86 HTT (0.49) S1PR4HTTALDH1A1HIF1ACYP19A1
SCHEMBL2002273 0.86 MAPT (0.55) S1PR4HTTALDH1A1CYP19A1TDP1
SCHEMBL12518698 0.84 S1PR4 (0.62) S1PR4ALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL21644480 0.83 TSHR (0.62) S1PR4HTTALDH1A1HIF1ACYP19A1
SCHEMBL8926446 0.83 ALDH1A1 (0.49) S1PR4HTTALDH1A1HIF1ACYP19A1
SCHEMBL30729439 0.83 HTT (0.66) S1PR4HTTALDH1A1CYP19A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
EP-4186901-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY Cytosinlab Therapeutics Co., Ltd. (CN) 2023-05-31 EP disclosed
CN-110467637-B Bisaminyl chloropyrimidine compound containing phosphine oxide substituted aniline, preparation method and application thereof 北京赛特明强医药科技有限公司 2022-02-18 CN disclosed
EP-2344494-B1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARM LLC (US) 2016-04-20 EP disclosed
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 US disclosed
EP-2344494-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS Signal Pharmaceuticals, LLC (US) 2011-07-20 EP disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 US disclosed
WO-2010027500-A1 AMINOTRIAZOLOPYRIDINES AND THEIR USE AS KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2010-03-11 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 (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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 S1PR4 2721/4885HTT 1602/4885ALDH1A1 1694/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 S1PR4 2940/4885HTT 3484/4885ALDH1A1 2716/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 S1PR4 2721/4885HTT 1602/4885ALDH1A1 1694/4885

“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.