SCHEMBL10104478

SCHEMBL10104478

Cc1cc(CN2CCOCC2)c(C)c(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.53
CNR2 P34972 3/20 0.53
CYP2A13 Q16696 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 2/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CRHR1 P34998 2/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40

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
SCHEMBL10104533 0.86 KDM4E (0.44) CNR1CNR2KMT2AATMMEN1
SCHEMBL10104450 0.86 CYP2A13 (0.44) CNR1CNR2CYP2A13HSD17B10KMT2A
SCHEMBL10104480 0.85 KDM4E (0.43) CNR1CNR2KMT2AATMMEN1
SCHEMBL10104471 0.82 PDE3B (0.55) CNR1CNR2CYP2A13HSD17B10KMT2A
SCHEMBL14515373 0.82 HSD17B10 (0.50) CNR1CNR2CYP2A13HSD17B10KMT2A
SCHEMBL23239910 0.80 TP53 (0.56) CNR1CNR2CYP2A13HSD17B10KMT2A
SCHEMBL23239921 0.79 CNR1 (0.46) CNR1CNR2CYP2A13HSD17B10KMT2A
SCHEMBL23239911 0.77 CYP2A13 (0.54) CYP2A13HSD17B10KMT2AATMMEN1
SCHEMBL11822627 0.74 HSD17B10 (0.66) CYP2A13HSD17B10KMT2AATMMEN1
SCHEMBL426887 0.74 HSD17B10 (0.48) CNR1CNR2CYP2A13HSD17B10KMT2A

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
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CNR1 96/4885CNR2 462/4885CYP2A13 370/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 CNR1 248/4885CNR2 847/4885CYP2A13 1507/4885

“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.