SCHEMBL6217652

SCHEMBL6217652

CSc1nc(-c2ccccc2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 4/20 0.58
HTT P42858 4/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LHCGR P22888 5/20 0.58
IKBKB O14920 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
BRAF P15056 4/20 0.49
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
NPC1 O15118 2/20 0.49

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
SCHEMBL6216455 0.91 LHCGR (0.59) LIMK1HTTALDH1A1MAPTKDM4E
SCHEMBL4421145 0.89 BRAF (0.62) LHCGRIKBKBTSHRBRAFPDE4A
SCHEMBL4421173 0.88 LHCGR (0.75) LHCGRIKBKBTSHRBRAFPDE4A
SCHEMBL6216808 0.87 LHCGR (0.64) ALDH1A1MAPTKDM4ELHCGRTSHR
SCHEMBL2132337 0.87 LHCGR (0.60) LIMK1LHCGRIKBKBTSHRBRAF
SCHEMBL4426360 0.86 LHCGR (0.63) LIMK1HTTALDH1A1MAPTKDM4E
SCHEMBL4430436 0.86 LHCGR (0.77) LIMK1LHCGRIKBKBTSHRBRAF
SCHEMBL6215311 0.85 LHCGR (0.61) HTTALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6216728 0.85 LHCGR (0.65) LIMK1HTTALDH1A1MAPTKDM4E
SCHEMBL6217403 0.84 LHCGR (0.60) LIMK1HTTALDH1A1MAPTKDM4E

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
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 EP disclosed
US-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 US disclosed
US-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists MERCK SHARP & DOHME B.V. (NL) 2003-11-13 US disclosed
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 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-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists LHCGR, GNRHR, FSHR LIMK1 4024/4885HTT 958/4885ALDH1A1 757/4885

“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.