SCHEMBL10104535

SCHEMBL10104535

Cc1cc(C2=CCNCC2)c(C)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.46
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
HTR6 P50406 3/20 0.36
HTR7 P34969 2/20 0.36
HTR2A P28223 1/20 0.36
DRD2 P14416 2/20 0.36
JAK2 O60674 1/20 0.36
PRKD3 O94806 1/20 0.36
MARK3 P27448 1/20 0.36
PRKCI P41743 1/20 0.36
PRKCD Q05655 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
BRSK1 Q8TDC3 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
SCHEMBL5536591 0.82 PDE3B (0.52) HTR2CPDE3BPDE3ASIGMAR1HTR6
SCHEMBL10104530 0.73 SLC6A4 (0.43) TGFBR1ACVR1HTR6DRD2KDM4E
Hydrochloric Acid SCHEMBL4589212 0.72 HTR2C (0.56) HTR2CPDE3BPDE3ASIGMAR1HTR6
SCHEMBL3326760 0.72 HTR2C (0.56) HTR2CPDE3BPDE3ASIGMAR1HTR6
SCHEMBL24157910 0.72 HTR2C (0.50) HTR2CPDE3BPDE3ASIGMAR1HTR6
SCHEMBL10104504 0.72 HTR2C (0.62) HTR2CTGFBR1ACVR1KCNH2SIGMAR1
Hydrochloric Acid SCHEMBL17223043 0.72 HTR2C (0.50) HTR2CPDE3BPDE3ASIGMAR1HTR6
SCHEMBL12139643 0.71 HTR2C (0.50) HTR2CPDE3BPDE3ASIGMAR1HTR6
SCHEMBL24670167 0.71 GLA (0.54) HTR2CPDE3BPDE3ASIGMAR1HTR6
SCHEMBL12142090 0.70 PDE3B (0.52) HTR2CPDE3BPDE3ASIGMAR1HTR6

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 HTR2C 2673/4885PDE3B 2104/4885PDE3A 2428/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 HTR2C 2276/4885PDE3B 1946/4885PDE3A 1914/4885

“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.