SCHEMBL9961865

SCHEMBL9961865

Cc1c(CN2CCN(c3nccnc3-c3ccc(CNC(=O)OCCF)cc3)CC2)cnn1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.37
HTR7 P34969 10/20 0.37
DRD2 P14416 8/20 0.37
HTR6 P50406 8/20 0.37
FLT3 P36888 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KIT P10721 1/20 0.36
KDR P35968 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AURKA O14965 1/20 0.35
FLT1 P17948 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
GPR6 P46095 1/20 0.35
RET P07949 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
Hydrochloric Acid SCHEMBL3322833 0.99 HTR1A (0.37) HTR1AHTR7DRD2HTR6FLT3
SCHEMBL9961864 0.92 KDR (0.41) HTR1AHTR7FLT3ALDH1A1KIT
Hydrochloric Acid SCHEMBL3320579 0.91 KDR (0.41) HTR1AHTR7FLT3ALDH1A1KIT
SCHEMBL9961873 0.90 ALDH1A1 (0.41) HTR1AHTR7DRD2HTR6ALDH1A1
Hydrochloric Acid SCHEMBL3322748 0.89 ALDH1A1 (0.41) HTR1AHTR7DRD2HTR6ALDH1A1
SCHEMBL3319571 0.87 AKT1 (0.39) HTR1AHTR7DRD2HTR6ALDH1A1
SCHEMBL3321430 0.86 HTR2A (0.41) HTR1AHTR7DRD2ALDH1A1KIT
Hydrochloric Acid SCHEMBL3319340 0.86 HTR2A (0.40) HTR1AHTR7ALDH1A1KITALPI
SCHEMBL9961876 0.85 ALDH1A1 (0.39) HTR1AHTR7ALDH1A1KITALPI
SCHEMBL9961860 0.85 HTR1A (0.38) HTR1AHTR7DRD2HTR6ALDH1A1

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-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
US-8202873-B2 2-[4-(pyrazol-4-ylalkyl)piperazin-1-yl]-3-phenyl pyrazines as 5-HT7 receptor antagonists ELI LILLY AND COMPANY (US) 2012-06-19 US disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 US disclosed
US-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2010-05-13 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 (1 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-20100120785-A1 2-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-3-PHENYL PYRAZINES AND PYRIDINES AND 3-[4-(PYRAZOL-4-YLALKYL)PIPERAZIN-1-YL]-2-PHENYL PYRIDINES AS 5-HT7 RECEPTOR ANTAGONISTS HTR7, HTR2C, HTR4 HTR1A 4/4885HTR7 1/4885DRD2 294/4885

“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.