SCHEMBL10104455

SCHEMBL10104455

Cc1cc(CN2CC(N)C2)c(Cl)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
DDR1 Q08345 12/20 0.39
SOS1 Q07889 1/20 0.35
S1PR1 P21453 3/20 0.35
NR1H2 P55055 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL10104461 0.86 S1PR1 (0.37) SCN9ADDR1S1PR1KDM4EMEN1
SCHEMBL10104431 0.81 KDM4E (0.43) SCN9ADDR1NR1H2KDM4EMEN1
SCHEMBL10104470 0.81 KDM4E (0.46) SCN9ANR1H2KDM4EMEN1KMT2A
SCHEMBL10104460 0.80 KDM4E (0.43) NR1H2KDM4EMEN1KMT2AATM
SCHEMBL10104463 0.79 NR1H2 (0.53) DDR1NR1H2KDM4EMEN1KMT2A
SCHEMBL10104450 0.78 CYP2A13 (0.44) MEN1KMT2AATMNPSR1TDP1
SCHEMBL10104436 0.77 RORC (0.46) DDR1KDM4EMEN1KMT2AATM
SCHEMBL10663593 0.75 HSPA5 (0.46) P2RX7
SCHEMBL10767971 0.74 HSPA5 (0.38)
SCHEMBL10104527 0.71 HSPA5 (0.42) S1PR1P2RX7

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 SCN9A 3781/4885DDR1 1452/4885SOS1 943/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 SCN9A 3775/4885DDR1 1288/4885SOS1 1760/4885

“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.