SCHEMBL10104396

SCHEMBL10104396

Cc1cc(NC2CCN(C)CC2)c(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.41
IDH2 P48735 1/20 0.39
POLB P06746 1/20 0.37
KAT2B Q92831 2/20 0.36
PIM1 P11309 1/20 0.36
KDR P35968 2/20 0.36
BRAF P15056 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
EHMT2 Q96KQ7 2/20 0.35
PTK2 Q05397 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SCD O00767 1/20 0.34
SSTR1 P30872 1/20 0.34
CHEK1 O14757 1/20 0.34
CYP3A4 P08684 1/20 0.34
IL1B P01584 1/20 0.34

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
SCHEMBL17191528 0.82 IDH2 (0.43) SSTR4IDH2POLBKAT2BPIM1
SCHEMBL1815878 0.74 SCD (0.57) SSTR4IDH2POLBSCDSSTR1
SCHEMBL27760934 0.73 LCK (0.47) SSTR4IDH2POLBPIM1KDR
SCHEMBL16895215 0.73 NR1H2 (0.50) SSTR4IDH2POLBKAT2BPIM1
SCHEMBL10104408 0.72 NOS3 (0.42) SSTR4POLBPIM1HTR2AHTR2C
SCHEMBL12074539 0.71 POLB (0.44) IDH2POLBKAT2BEHMT2
SCHEMBL12988965 0.71 POLB (0.44) IDH2POLBKAT2BKDR
SCHEMBL10104326 0.69 ADRB2 (0.44) PIM1HTR2AHTR2CHTR2B
SCHEMBL10104409 0.69 MEN1 (0.38) POLB
SCHEMBL12074551 0.68 RAPGEF4 (0.45) POLBEHMT2CYP3A4

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 SSTR4 2643/4885IDH2 943/4885POLB 3818/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 SSTR4 3029/4885IDH2 1352/4885POLB 3682/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 SSTR4 1618/4885IDH2 605/4885POLB 256/4885

“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.