SCHEMBL13096285

SCHEMBL13096285

Cc1ccnc(-c2ncc[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.59
CCR5 P51681 1/20 0.59
CCR8 P51685 1/20 0.59
NISCH Q9Y2I1 2/20 0.53
METAP2 P50579 2/20 0.47
UHRF1 Q96T88 1/20 0.43
CYP2A6 P11509 1/20 0.43
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BRD4 O60885 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SMPD3 Q9NY59 1/20 0.38
METAP1 P53582 1/20 0.37

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
SCHEMBL5491437 0.79
SCHEMBL27905803 0.77 ASIC3 (0.48) NISCHMETAP2MTORADKALDH1A1
SCHEMBL19260909 0.77 ADRA2A (0.47) NISCHMTORADKALDH1A1MEN1
SCHEMBL21348456 0.77 NOS3 (0.46) NISCHMTORADKALDH1A1MEN1
SCHEMBL4257850 0.77 CCR1 (0.63) CCR1CCR5CCR8NISCHMTOR
SCHEMBL181893 0.76 CCR1 (1.00) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL29397106 0.76 CCR1 (1.00) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL29639764 0.74 CCR1 (0.55) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL15664136 0.74 CCR1 (0.94) CCR1CCR5CCR8METAP2UHRF1
SCHEMBL6820765 0.74 CCR1 (0.94) CCR1CCR5CCR8METAP2UHRF1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9953768-B2 Metal-complex dye, photoelectric conversion element, dye-sensitized solar cell, and dye solution containing metal-complex dye FUJIFILM CORPORATION (JP) 2018-04-24 US disclosed
US-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
US-9087642-B2 Photoelectric conversion element, photoelectrochemical cell, and metal complex dye used therein FUJIFILM CORPORATION (JP) 2015-07-21 US disclosed
US-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN FUJIFILM CORPORATION (JP) 2014-07-31 US disclosed
US-20100256375-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF PREPARATION NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-10-07 US disclosed
US-20100234394-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2010-09-16 US disclosed
US-7767820-B2 Substituted benzimidazoles and methods of preparation NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-03 US disclosed
US-7732465-B2 Substituted benzimidazoles and methods of their use NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-06-08 US disclosed
US-20090170904-A1 Substituted benzimidazoles and methods of their use NOVARTIS AG 2009-07-02 US disclosed
US-7482367-B2 Substituted benzimidazoles and methods of their use NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-01-27 US disclosed
US-20080287682-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2008-11-20 US disclosed
US-20070161680-A1 Substituted benzimidazoles and methods of their use NOVARTIS AG 2007-07-12 US disclosed
US-20070049622-A1 Substituted benzimidazoles and methods of preparation NOVARTIS AG 2007-03-01 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 (8 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-20070049622-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT CCR1 2860/4885CCR5 3022/4885CCR8 3057/4885
US-20070161680-A1 Substituted benzimidazoles and methods of their use BRAF, DSTYK, CHEK2 CCR1 4167/4885CCR5 4250/4885CCR8 3951/4885
US-20100256375-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF PREPARATION ABL1, CDK2, KIT CCR1 2860/4885CCR5 3022/4885CCR8 3057/4885
US-20100234394-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF THEIR USE BRAF, DSTYK, CHEK2 CCR1 4167/4885CCR5 4250/4885CCR8 3951/4885
US-20160012977-A1 METAL-COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, AND DYE SOLUTION CONTAINING METAL-COMPLEX DYE KCNN1, KCNN2, KCNN3 CCR1 2750/4885CCR5 3922/4885CCR8 3539/4885
US-20090170904-A1 Substituted benzimidazoles and methods of their use BRAF, DSTYK, CHEK2 CCR1 4167/4885CCR5 4250/4885CCR8 3951/4885
US-20080287682-A1 Substituted benzimidazoles and methods of preparation ABL1, CDK2, KIT CCR1 2860/4885CCR5 3022/4885CCR8 3057/4885
US-20140209172-A1 PHOTOELECTRIC CONVERSION ELEMENT, PHOTOELECTROCHEMICAL CELL, AND METAL COMPLEX DYE USED THEREIN L1CAM, CDH1, CD4 CCR1 1176/4885CCR5 3312/4885CCR8 4251/4885

“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.