SCHEMBL10104530

SCHEMBL10104530

Cc1cc(C2=CCN(C)CC2)c(C)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.43
QDPR P09417 2/20 0.40
TGFBR1 P36897 1/20 0.39
ACVR1 Q04771 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
DRD1 P21728 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR6 P50406 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL10104500 0.82 KDM4E (0.42) DRD2DRD4KDM4ELMNAHTR1A
SCHEMBL10104513 0.78 WDR5 (0.41) DRD2DRD4HTR1A
SCHEMBL10104512 0.78 WDR5 (0.41) KDM4ELMNAALOX15
SCHEMBL24310481 0.74 QDPR (0.55) SLC6A4QDPR
SCHEMBL10104535 0.73 HTR2C (0.46) TGFBR1ACVR1DRD2KDM4EALOX15
SCHEMBL3766233 0.72 DRD2 (0.44) SLC6A4QDPRDRD2DRD4KDM4E
SCHEMBL10104501 0.72 QDPR (0.47) SLC6A4QDPRTGFBR1ACVR1HTR1A
SCHEMBL16904548 0.70 SLC6A4 (0.58) SLC6A4LMNAPOLB
SCHEMBL31718158 0.69 QDPR (0.63) QDPR
SCHEMBL15009924 0.69 SLC6A4 (0.45) SLC6A4QDPR

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 SLC6A4 4238/4885QDPR 4063/4885TGFBR1 952/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 SLC6A4 1991/4885QDPR 505/4885TGFBR1 426/4885

“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.