SCHEMBL6835451

SCHEMBL6835451

Cc1cc(N)ccc1-n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
LMNA P02545 4/20 0.53
IDO1 P14902 3/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
THRB P10828 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
GAA P10253 3/20 0.45
NR4A1 P22736 1/20 0.45
PTK2B Q14289 1/20 0.45
CYP3A4 P08684 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2C9 P11712 3/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL19036229 0.84 LMNA (0.58) MAPTLMNAIDO1ALDH1A1MEN1
SCHEMBL1885632 0.82 CYP3A4 (0.46) MAPTLMNAIDO1ALDH1A1MEN1
SCHEMBL8283425 0.79 CYP3A4 (0.44) MAPTLMNAIDO1ALDH1A1MEN1
SCHEMBL993086 0.79 IDO1 (0.57) MAPTLMNAIDO1ALDH1A1MEN1
SCHEMBL16983194 0.79 IDO1 (0.61) MAPTLMNAIDO1ALDH1A1MEN1
SCHEMBL13997437 0.79 CYP3A4 (0.44) MAPTLMNAIDO1ALDH1A1MEN1
SCHEMBL1354709 0.79 LMNA (0.53) MAPTLMNAIDO1ALDH1A1MEN1
SCHEMBL29105016 0.79 IDO1 (0.47) MAPTLMNAIDO1ALDH1A1MEN1
SCHEMBL1037506 0.79 CYP11B1 (0.60) MAPTLMNAIDO1ALDH1A1KDM4E
SCHEMBL9260647 0.78 LMNA (0.48) MAPTLMNAIDO1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SMITHKLINE BEECHAM P.L.C. (GB) 2004-07-08 US disclosed
EP-1368344-A1 PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) SMITHKLINE BEECHAM PLC (GB) 2003-12-10 EP disclosed
WO-2002074768-A1 PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USES IN THERAPY (5HT1B RECEPTOR ACTIVITY) SMITHKLINE BEECHAM PLC (GB) 2002-09-26 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-20040132720-A1 Piperazine derivatives, their preparation and uses in therapy (5ht1b receptor activity) SIGMAR1, HTR6, OPRL1 MAPT 3757/4885LMNA 2234/4885IDO1 1161/4885

“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.