SCHEMBL10104306

SCHEMBL10104306

Cc1cc(N2CC[C@@H](N(C)C)C2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.46
CSF1R P07333 1/20 0.45
DPP4 P27487 3/20 0.44
ADRB1 P08588 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
NOTUM Q6P988 1/20 0.39
CYP3A4 P08684 1/20 0.38
SOS1 Q07889 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
BTK Q06187 1/20 0.37
MRGPRX2 Q96LB1 1/20 0.37
MCHR1 Q99705 2/20 0.37
SETD2 Q9BYW2 1/20 0.36

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
SCHEMBL10104305 1.00 FFAR4 (0.46) FFAR4CSF1RDPP4ADRB1BRAF
SCHEMBL10104267 1.00 FFAR4 (0.46) FFAR4CSF1RDPP4ADRB1BRAF
SCHEMBL10104291 0.91 FFAR4 (0.50) FFAR4CSF1RDPP4ADRB1CYP3A4
SCHEMBL15315556 0.89 HRH4 (0.40) FFAR4CSF1RDPP4SOS1HRH4
SCHEMBL14092980 0.86 DPP4 (0.47) FFAR4CSF1RDPP4ADRB1BRAF
SCHEMBL16904559 0.84 DPP4 (0.46) CSF1RDPP4ADRB1BRAFKDR
SCHEMBL14117055 0.82 DPP4 (0.47) CSF1RDPP4ADRB1BRAFKDR
SCHEMBL10104544 0.81 FFAR4 (0.47) FFAR4CSF1RBRAFKDRNOTUM
SCHEMBL10104300 0.81 FFAR4 (0.49) FFAR4CSF1RDPP4ADRB1NOTUM
SCHEMBL12398772 0.81 DPP4 (0.51) FFAR4DPP4ADRB1NOTUMHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
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
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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 (3 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 FFAR4 4456/4885CSF1R 594/4885DPP4 4423/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 FFAR4 4204/4885CSF1R 813/4885DPP4 4292/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 FFAR4 2848/4885CSF1R 895/4885DPP4 1458/4885

“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.