SCHEMBL10104415

SCHEMBL10104415

Cc1cc(CCCN(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.45
NOS1 P29475 7/20 0.44
NOS2 P35228 4/20 0.44
NOS3 P29474 6/20 0.44
KCNH2 Q12809 1/20 0.40
CCR2 P41597 2/20 0.38

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
SCHEMBL10169147 0.90 NOS1 (0.44) TACR1NOS1NOS2NOS3
SCHEMBL22028466 0.90 TACR1 (0.52) TACR1NOS1NOS2NOS3KCNH2
SCHEMBL15077165 0.83 KCNH2 (0.51) TACR1NOS1NOS2NOS3KCNH2
SCHEMBL445763 0.82 TACR1 (0.44) TACR1NOS1NOS2NOS3KCNH2
SCHEMBL21400112 0.81 NOS1 (0.47) TACR1NOS1NOS2NOS3
Hydrochloric Acid SCHEMBL787937 0.81 TACR1 (0.43) TACR1NOS1NOS2NOS3KCNH2
SCHEMBL10104524 0.79 TACR1 (0.41) TACR1NOS1NOS2NOS3
SCHEMBL10104293 0.79 NOS1 (0.44) TACR1NOS1NOS2NOS3KCNH2
SCHEMBL17365391 0.78 NOS1 (0.41) TACR1NOS1NOS2NOS3CCR2
SCHEMBL14492896 0.78 TACR1 (0.50) TACR1NOS1NOS2NOS3CCR2

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
EP-4289427-A1 DIHYDRO[1,8]NAPHTHYRIDIN-7-ONE AND PYRIDO[3,2-B][1,4]OXAZIN-3-ONE FOR USE IN TREATING CANCER, AND METASTASES IN PARTICULAR. Anagenesis Biotechnologies (FR) 2023-12-13 EP 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-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 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 (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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TACR1 1434/4885NOS1 676/4885NOS2 1534/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 TACR1 4251/4885NOS1 1852/4885NOS2 2443/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 TACR1 2289/4885NOS1 2364/4885NOS2 3523/4885

“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.