SCHEMBL10104522

SCHEMBL10104522

COc1c(CO)cc(C)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
HSPA5 P11021 1/20 0.36
ACHE P22303 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
AR P10275 2/20 0.33
TMPRSS4 Q9NRS4 1/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL3302064 0.81 MAPT (0.52) MAPTFNTAFNTBACHEPDE4A
SCHEMBL14885781 0.81 ACHE (0.46) MAPTACHESMN1; SMN2HTR2AHTR2C
SCHEMBL10104537 0.80 SLC6A4 (0.37) MAPTACHEHTR2AHTR2CAR
SCHEMBL10882757 0.76 MAPT (0.47) MAPTFNTAFNTBHSPA5ACHE
SCHEMBL20362610 0.76 MAPT (0.47) MAPTFNTAFNTBACHEPDE4A
SCHEMBL10104525 0.75 MEN1 (0.44) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10104527 0.75 HSPA5 (0.42) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL16240772 0.74 MAPT (0.46) MAPTFNTAFNTBHSPA5ACHE
SCHEMBL10064029 0.74 ACHE (0.61) MAPTFNTAFNTBACHEPDE4A
SCHEMBL10104499 0.73 SLC6A2 (0.34) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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 MAPT 3852/4885FNTA 4287/4885FNTB 3793/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 MAPT 3272/4885FNTA 4297/4885FNTB 3967/4885

“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.