SCHEMBL17490481

SCHEMBL17490481

CC(=O)Nc1cc([N+](=O)[O-])c(Cl)nc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 1/20 0.43
CCR6 P51684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC9A1 P19634 1/20 0.43
MAPT P10636 2/20 0.40
PDE7A Q13946 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
HTT P42858 3/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL28359039 0.89 NPSR1 (0.45) NPSR1POLBGALR2MITFALDH1A1
SCHEMBL28496822 0.87 POLB (0.44) NPSR1POLBGALR2MITFALDH1A1
SCHEMBL17490464 0.86 NPSR1 (0.46) NPSR1POLBGALR2MITFALDH1A1
SCHEMBL17490379 0.79 NPSR1 (0.46) NPSR1POLBGALR2MITFALDH1A1
SCHEMBL17490479 0.78 NPSR1 (0.40) NPSR1POLBGALR2MITFALDH1A1
SCHEMBL28359193 0.74 POLB (0.45) NPSR1POLBGALR2MITFALDH1A1
SCHEMBL10745494 0.73 POLB (0.49) NPSR1POLBGALR2MITFALDH1A1
SCHEMBL28973017 0.72 POLB (0.44) NPSR1POLBGALR2MITFALDH1A1
SCHEMBL19172750 0.72 PDK1 (0.38) ALDH1A1HPGDKMT2APDK1
SCHEMBL17490445 0.72 RORC (0.44) POLBALDH1A1HPGDMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
US-RE49851-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-02-27 US disclosed
US-RE48687-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2021-08-17 US disclosed
US-RE48687-E1 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2021-08-17 US disclosed
EP-3181560-B1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO LTD (CN) 2020-11-25 EP disclosed
EP-3181560-B1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO LTD (CN) 2020-11-25 EP disclosed
US-10072002-B2 Pyridinylaminopyrimidine derivatives, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICALS, INC. (CN) 2018-09-11 US disclosed
US-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2017-07-27 US disclosed
US-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2017-07-27 US disclosed
US-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2017-07-27 US disclosed
EP-3181560-A1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Shanghai Allist Pharmaceuticals, Inc. (CN) 2017-06-21 EP disclosed
EP-3181560-A1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Shanghai Allist Pharmaceuticals, Inc. (CN) 2017-06-21 EP disclosed
WO-2016015453-A1 PYRIDINE AMIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 上海艾力斯医药科技有限公司 2016-02-04 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 (2 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-20170210739-A1 PYRIDINYLAMINOPYRIMIDINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF EGFR, ERBB2, ERBB4 NPSR1 1035/4885POLB 1842/4885GALR2 4237/4885
US-10072002-B2 Pyridinylaminopyrimidine derivatives, preparation process and use thereof EGFR, ERBB2, ERBB4 NPSR1 1035/4885POLB 1842/4885GALR2 4237/4885

“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.