SCHEMBL10104428

SCHEMBL10104428

Cc1cc(N2CCN(CC(C)C)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
CYP2C9 P11712 3/20 0.43
TSHR P16473 2/20 0.43
ADRB1 P08588 1/20 0.43
IGF1R P08069 1/20 0.42
PHGDH O43175 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CACNA1G O43497 2/20 0.38

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
SCHEMBL10104316 0.84 FFAR4 (0.48) FFAR4CYP2C9ADRB1PHGDHMAPT
SCHEMBL10104322 0.81 ALDH1A1 (0.52) FFAR4TSHRADRB1PHGDHMAPT
SCHEMBL10104318 0.81 ADRB1 (0.46) FFAR4CYP2C9TSHRADRB1PHGDH
SCHEMBL10104426 0.80 FFAR4 (0.48) FFAR4TSHRADRB1PHGDHMAPT
SCHEMBL381420 0.79 CACNA1G (0.54) ALDH1A1KDM4ECACNA1GKCNH2
SCHEMBL10104383 0.79 FFAR4 (0.45) FFAR4CYP2C9ADRB1PHGDHNPSR1
SCHEMBL10104320 0.79 FFAR4 (0.53) FFAR4ADRB1PHGDHKDM4ENPSR1
SCHEMBL28698126 0.79 IGF1R (0.41) CYP2C9TSHRADRB1IGF1RMAPT
SCHEMBL428031 0.79 ADRB1 (0.50) FFAR4TSHRADRB1PHGDHALDH1A1
SCHEMBL12398720 0.78 ADRB1 (0.53) FFAR4CYP2C9TSHRADRB1PHGDH

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 FFAR4 4204/4885CYP2C9 1081/4885TSHR 1287/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 FFAR4 2848/4885CYP2C9 832/4885TSHR 865/4885

“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.