SCHEMBL26775065

SCHEMBL26775065

CC(C)(C#N)c1ccc(Nc2cc(Cl)ncc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 1/20 0.46
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ CSNK1G2 P78368 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL1625663 0.83 MERTK (0.58) MERTKMAPK1PDK1PDK3PDK4
SCHEMBL24270517 0.80 MTOR (0.40) HTTGAAPIK3CAPRKDCMAPT
SCHEMBL30578485 0.80 MTOR (0.40) HTTGAAPIK3CAPRKDCMAPT
SCHEMBL4002405 0.78 L3MBTL1 (0.58) MAPK1HTTGAAALDH1A1PIN1
SCHEMBL4716677 0.77 GAA (0.63) MERTKMAPK1HTTGAAALDH1A1
SCHEMBL30578466 0.77 GAA (0.63) MERTKMAPK1HTTGAAALDH1A1
SCHEMBL31439343 0.77 MTOR (0.42) PIK3CAPIN1MAPTCSNK1DCSNK1G2
SCHEMBL15747832 0.77 MTOR (0.42) PIK3CAPIN1MAPTCSNK1DCSNK1G2
SCHEMBL1025709 0.77 MTOR (0.48) MAPTCSNK1DCSNK1G2MTOR
SCHEMBL3995507 0.76 HTT (0.45) MERTKMAPK1HTTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — US disclosed
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — US disclosed
CN-116669725-A Novel aminopyridine and use thereof in the treatment of cancer 奥克兰联合服务有限公司 2023-08-29 — — CN 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 (1 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-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP MERTK 404/4885MAPK1 347/4885HTT 4800/4885

“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.

Send feedback