SCHEMBL4917396

SCHEMBL4917396

NC(N)=NC(=O)c1ccc2c(c1)C(=O)c1cccc(F)c1-2

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 12/20 0.68
HTR7 P34969 11/20 0.68
HTR5A P47898 8/20 0.52
DRD2 P14416 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL4923552 0.82 HTR2B (1.00) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL4919994 0.80 TTR (0.65) HTR2AADRA1A
SCHEMBL14087443 0.79 HTR2B (0.94) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL16502850 0.76 HTR5A (0.65) HTR2BHTR7HTR5A
SCHEMBL7916628 0.76 HTR5A (0.58) HTR2BHTR7HTR5A
SCHEMBL4920931 0.74 HTR2B (0.65) HTR2BHTR7DRD2ADRA1DHTR2A
SCHEMBL4921661 0.73 HTR7 (0.76) HTR2BHTR7HTR5ADRD2ADRA1D
SCHEMBL16502767 0.73 HTR5A (0.59) HTR2BHTR7HTR5A
SCHEMBL7918327 0.73 HTR5A (0.54) HTR2BHTR7HTR5A
SCHEMBL6647667 0.72 PGR (0.50)

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
US-20080200551-A1 Flourene Derivative ASTELLAS PHARMA INC. (JP) 2008-08-21 US disclosed
US-20080171788-A1 Medicament For Irritable Bowel Syndrome ASTELLAS PHARMA INC. (JP) 2008-07-17 US disclosed
US-20080161419-A1 Prophylactic Antimigraine Agents ASTELLAS PHARMA INC. (JP) 2008-07-03 US disclosed
EP-1852129-A1 REMEDY FOR IRRITABLE BOWEL SYNDROME Astellas Pharma Inc. (JP) 2007-11-07 EP disclosed
EP-1728784-A1 FLUORENE DERIVATIVE Astellas Pharma Inc. (JP) 2006-12-06 EP disclosed
EP-1716867-A1 PREVENTIVES FOR MIGRAINE Astellas Pharma Inc. (JP) 2006-11-02 EP 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-20080161419-A1 Prophylactic Antimigraine Agents HTR2B, HTR7, HTR1A HTR2B 1/4885HTR7 2/4885HTR5A 7/4885
US-20080200551-A1 Flourene Derivative HTR2B, HTR7, HTR2C HTR2B 1/4885HTR7 2/4885HTR5A 4/4885
US-20080171788-A1 Medicament For Irritable Bowel Syndrome HTR7, HTR5A, HTR3B HTR2B 4/4885HTR7 1/4885HTR5A 2/4885

“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.