SCHEMBL7124221

SCHEMBL7124221

Cn1cncc1-c1cccc(Nc2ccc3ccccc3n2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
RHOA P61586 1/20 0.44
HPGDS O60760 1/20 0.42
GSK3B P49841 15/20 0.41
DYRK1A Q13627 15/20 0.41
WNT1 P04628 3/20 0.40
NCF1 P14598 1/20 0.40
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
TTK P33981 1/20 0.38

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
SCHEMBL5946846 0.75 HTR2A (0.50) RHOANCF1
SCHEMBL7121980 0.74 IDO1 (0.46) IDO1HPGDSGSK3BDYRK1AWNT1
SCHEMBL7977724 0.74 RHOA (0.44) RHOAGSK3BDYRK1ANCF1
SCHEMBL4515256 0.72 IDO1 (0.57) IDO1HPGDSGSK3BDYRK1AWNT1
SCHEMBL29809180 0.70 RAB9A (0.48) IDO1HPGDS
SCHEMBL21128683 0.70 IDO1 (0.68) IDO1HPGDSGSK3BDYRK1A
SCHEMBL29833517 0.69 NCF1 (0.61) RHOANCF1
SCHEMBL396525 0.69 NCF1 (0.61) RHOANCF1
SCHEMBL1701970 0.69 NPC1 (0.61) RHOAGSK3BNCF1
SCHEMBL3951916 0.69 IGF1R (0.55) RHOANCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176454-A1 N-coating heterocyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 US disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO 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-20030176454-A1 N-coating heterocyclic compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, GNE, NIT2 IDO1 1301/4885RHOA 2467/4885HPGDS 1229/4885

“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.