SCHEMBL3425967

SCHEMBL3425967

CC(C)NC(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.77
KDM4E B2RXH2 1/20 0.77
TP53 P04637 3/20 0.68
HTT P42858 4/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
RAB9A P51151 1/20 0.68
ALDH1A1 P00352 2/20 0.66
LMNA P02545 2/20 0.64
POLB P06746 1/20 0.64
NPSR1 Q6W5P4 2/20 0.60
EPHX2 P34913 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
GAA P10253 1/20 0.57
KDR P35968 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
Benzene SCHEMBL11583640 0.98 SMN1; SMN2 (0.80) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL18415216 0.86 SMN1; SMN2 (0.58) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL5597699 0.85 KMT2A (0.90) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL30101230 0.85 KMT2A (0.90) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL4548162 0.84 KMT2A (0.87) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL2632866 0.83 MAPT (0.73) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL22025444 0.82 KMT2A (0.68) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL5458066 0.82 ALDH1A1 (0.77) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL11583635 0.82 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ETP53HTTMAPT
SCHEMBL22024980 0.81 KMT2A (0.77) SMN1; SMN2KDM4ETP53HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220054489-A1 AURORA KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-02-24 US disclosed
US-10870647-B2 Imidazopyridine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-12-22 US disclosed
US-20190315738-A1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2019-10-17 US disclosed
US-20160250211-A1 AURORA KINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-01 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
WO-2012002502-A1 DIHYDROPYRIMIDINONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 大日本住友製薬株式会社 (JP) 2012-01-05 WO disclosed
US-7989422-B2 Antibacterial agents ALCHEMIA LIMITED (AU) 2011-08-02 US disclosed
US-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-12-30 US disclosed
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-03-18 US disclosed
US-20090023669-A1 Antibacterial Agents ALCHEMIA LIMITED (AU) 2009-01-22 US 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 (7 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-20100331305-A1 OXO-HETEROCYCLE FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, PIK3CA, RICTOR SMN1; SMN2 1953/4885KDM4E 2554/4885TP53 432/4885
US-20220054489-A1 AURORA KINASE INHIBITORS AURKC, AURKA, AURKB SMN1; SMN2 4435/4885KDM4E 2244/4885TP53 26/4885
US-20160250211-A1 AURORA KINASE INHIBITORS AURKC, AURKA, AURKB SMN1; SMN2 4435/4885KDM4E 2244/4885TP53 26/4885
US-20190315738-A1 NOVEL IMIDAZOPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER FYN, SRC, LCK SMN1; SMN2 1959/4885KDM4E 1524/4885TP53 232/4885
US-10870647-B2 Imidazopyridine derivative, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer FYN, SRC, LCK SMN1; SMN2 1996/4885KDM4E 1486/4885TP53 205/4885
US-20090023669-A1 Antibacterial Agents MRPL21, FUT6, FUT5 SMN1; SMN2 4524/4885KDM4E 3876/4885TP53 4844/4885
US-20100069357-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK SMN1; SMN2 1868/4885KDM4E 2804/4885TP53 362/4885

“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.