SCHEMBL708798

SCHEMBL708798

Fc1ccc(C#Cc2ccnc(Cl)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.56
GRM5 P41594 9/20 0.45
GRM4 Q14833 1/20 0.44
KCNH2 Q12809 1/20 0.36
TRPV3 Q8NET8 2/20 0.36
TRPV1 Q8NER1 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
SCHEMBL10020221 0.83 FFAR1 (0.56) FFAR1GRM5GRM4KCNH2
SCHEMBL10020217 0.82 GRM4 (0.64) FFAR1GRM5GRM4KCNH2
SCHEMBL10020219 0.79 GRM5 (0.53) FFAR1GRM5GRM4TRPV3
SCHEMBL13989104 0.79 FFAR1 (0.43) FFAR1GRM5GRM4
SCHEMBL3102183 0.78 PTGDR2 (0.40) FFAR1GRM5TRPV3TRPV1
SCHEMBL3110744 0.76 ACACB (0.53) FFAR1GRM5GRM4TRPV3
SCHEMBL3720238 0.73 FFAR1 (0.56) FFAR1GRM4KCNH2
SCHEMBL708817 0.72 ACACB (0.59) GRM5GRM4TRPV3
SCHEMBL709297 0.72 GRM5 (0.42) GRM5GRM4TRPV3
SCHEMBL13516914 0.72 GRM5 (0.43) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP disclosed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-8242273-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-08-14 US disclosed
US-8242273-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-08-14 US disclosed
US-8124765-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-02-28 US disclosed
US-8124765-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA, NV (BE) 2012-02-28 US disclosed
CN-101889012-A Fungicidal bicyclic pyrazoles DU PONT 2010-11-17 CN disclosed
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 US disclosed
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DENG XIAOHU 2010-10-28 US disclosed
US-7807832-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
US-7807832-B2 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA NV (BE) 2010-10-05 US disclosed
EP-2217600-A2 FUNGICIDAL BICYCLIC PYRAZOLES E. I. du Pont de Nemours and Company (US) 2010-08-18 EP disclosed
WO-2009076440-A2 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-18 WO disclosed
WO-2007016286-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
WO-2007016286-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-08 WO disclosed
US-20070027319-A1 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-01 US disclosed
US-20070027319-A1 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-01 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 (4 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-20070027319-A1 Synthesis of 4/5-pyrimidinylimidazoles via sequential functionalization of 2,4-dichloropyrimidine DCK, DPYD, DTYMK FFAR1 4476/4885GRM5 1840/4885GRM4 1603/4885
US-20100274016-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK FFAR1 4476/4885GRM5 1840/4885GRM4 1603/4885
US-20100274015-A1 SYNTHESIS OF 4/5-PYRIMIDINYLIMIDAZOLES VIA SEQUENTIAL FUNCTIONALIZATION OF 2,4-DICHLOROPYRIMIDINE DCK, DPYD, DTYMK FFAR1 4476/4885GRM5 1840/4885GRM4 1603/4885
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES CYP1B1, CBR1, CYP1A1 FFAR1 1476/4885GRM5 2934/4885GRM4 3561/4885

“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.