SCHEMBL3439833

SCHEMBL3439833

O=c1ccnc(Nc2cccc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
KIF11 P52732 3/20 0.56
PTK6 Q13882 1/20 0.54
AURKA O14965 3/20 0.52
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 3/20 0.48
GMNN O75496 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
UGT1A1 P22309 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
PMP22 Q01453 1/20 0.48
DHODH Q02127 1/20 0.48

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
SCHEMBL3439825 0.78 ERBB2 (0.51) HTTPTK6GRM4GSK3B
SCHEMBL3439834 0.77 VSIR (0.52) MEN1KMT2AGSK3BPOLB
SCHEMBL19645433 0.77 HTT (0.60) HTTKIF11PTK6MEN1ALDH1A1
SCHEMBL2282586 0.77 TAAR1 (0.59) AURKAMEN1ALDH1A1KMT2ACDK2
SCHEMBL25835518 0.76 HTT (0.72) HTTKIF11MEN1ALDH1A1KMT2A
SCHEMBL28811027 0.76 HTT (0.68) HTTKIF11MEN1ALDH1A1KMT2A
SCHEMBL10787601 0.75 MEN1 (0.57) HTTAURKAMEN1ALDH1A1KMT2A
SCHEMBL2807558 0.74 HTT (0.69) HTTKIF11KMT2ALMNAPKM
SCHEMBL14949459 0.73 SCN2A (0.58) HTTKIF11PTK6AURKAIDH2
SCHEMBL10783789 0.73 HTT (0.49) HTTKIF11MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 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 (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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG HTT 4226/4885KIF11 4141/4885PTK6 1756/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG HTT 4226/4885KIF11 4141/4885PTK6 1756/4885

“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.