SCHEMBL3609027

SCHEMBL3609027

CC(Nc1ccc([N+](=O)[O-])cc1)C(C)(C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 2/20 0.50
RECQL P46063 1/20 0.50
CA1 P00915 2/20 0.49
CA12 O43570 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP14 P50281 1/20 0.49
KCNH3 Q9ULD8 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
CA2 P00918 1/20 0.45
HPGD P15428 2/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL3141855 0.78 KCNH3 (0.63) ALDH1A1HSD17B10RECQLCA1CA12
Hydrochloric Acid SCHEMBL7504066 0.77 KCNH3 (0.66) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL4332876 0.76 MAPT (0.54) ALDH1A1HSD17B10RECQLCA1KCNH3
SCHEMBL6701324 0.76 ALDH1A1 (0.53) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL28358317 0.75 CA12 (0.59) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL6851287 0.75 ALDH1A1 (0.52) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL25278879 0.72 ALDH1A1 (0.53) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL2441128 0.72 ALDH1A1 (0.53) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL28142388 0.72 ALDH1A1 (0.64) ALDH1A1HSD17B10RECQLCA1CA12
SCHEMBL3609031 0.72 ALDH1A1 (0.49) ALDH1A1HSD17B10RECQLCA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4370212-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2024-05-22 EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
WO-2024094962-A1 PYRIDO[2,3-D]PYRIMIDIN-2-AMINE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed
WO-2024078649-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE MASARYKOVA UNIVERZITA (CZ) 2024-04-18 WO disclosed
EP-4353727-A1 SUBSTITUTED FUROPYRIDINES FOR THERAPEUTIC USE Masarykova Univerzita (CZ) 2024-04-17 EP disclosed
WO-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 WO disclosed
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 US disclosed
WO-2010075197-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2010-07-01 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 (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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 2764/4885HSD17B10 2388/4885RECQL 938/4885

“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.