SCHEMBL17809689

SCHEMBL17809689

Cc1ccc(-c2cn(C)nc2C(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
BRD4 O60885 2/20 0.44
CREBBP Q92793 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MBOAT4 Q96T53 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5AP P20292 1/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
HCRTR1 O43613 3/20 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
SCHEMBL21051429 0.84 BRD4 (0.45) CYP2C19CYP3A4BRD4CREBBPCYP1A2
SCHEMBL17785580 0.84 BRD4 (0.45) CYP2C19CYP3A4BRD4CREBBPCYP1A2
SCHEMBL17806490 0.82 BRD4 (0.42) CYP2C19CYP3A4BRD4CREBBPCYP1A2
SCHEMBL16561248 0.79 CCR1 (0.52) CYP3A4CCR1CCR5CCR8HDAC6
SCHEMBL17809691 0.78 CYP2C19 (0.49) CYP2C19CYP3A4BRD4CREBBPCYP1A2
SCHEMBL17810261 0.77 CYP2C19 (0.43) CYP2C19CYP3A4BRD4CREBBPCYP1A2
SCHEMBL28642610 0.73 CCR1 (0.44) CYP3A4CCR1CCR5CCR8HDAC6
SCHEMBL21786598 0.73 LMNA (0.41) CYP2C19BRD4CREBBPCYP1A2CYP2C9
SCHEMBL25619166 0.72 CCR1 (0.47) CYP3A4CCR1CCR5CCR8HDAC6
SCHEMBL21786599 0.72 LMNA (0.47) CYP2C19BRD4CREBBPCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CYP2C19 3069/4885CYP3A4 3799/4885CCR1 616/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CYP2C19 3069/4885CYP3A4 3799/4885CCR1 616/4885

“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.