SCHEMBL4578714

SCHEMBL4578714

O=C(CCl)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 2/20 0.65
CLK4 Q9HAZ1 2/20 0.65
PRKX P51817 1/20 0.65
CAMK2D Q13557 1/20 0.65
PKN2 Q16513 1/20 0.65
STK17A Q9UEE5 1/20 0.65
ALDH1A1 P00352 8/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
HIF1A Q16665 2/20 0.61
HSD17B10 Q99714 2/20 0.61
CYP2C19 P33261 1/20 0.61
PHLPP2 Q6ZVD8 1/20 0.61
MAP4K4 O95819 1/20 0.61
DYRK1A Q13627 1/20 0.61
SRPK1 Q96SB4 1/20 0.61
HPGD P15428 3/20 0.60
P2RX7 Q99572 1/20 0.58

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
SCHEMBL4577230 0.88 ROCK2 (0.67) CLK2CLK4STK17AMAP4K4DYRK1A
SCHEMBL23084047 0.85 HPGD (0.63) CLK2CLK4PRKXCAMK2DPKN2
SCHEMBL6689373 0.83 ROCK2 (0.58) CLK2CLK4PRKXCAMK2DPKN2
SCHEMBL28573140 0.83 KDM4E (0.71) CLK2CLK4PRKXCAMK2DPKN2
SCHEMBL6762504 0.83 P2RX7 (0.62) CLK2CLK4PRKXCAMK2DPKN2
SCHEMBL1548213 0.81 ALDH1A1 (0.69) CLK2CLK4PRKXCAMK2DPKN2
SCHEMBL30725947 0.81 ALDH1A1 (0.69) CLK2CLK4PRKXCAMK2DPKN2
SCHEMBL28580936 0.81 ALDH1A1 (0.73) CLK2CLK4PRKXCAMK2DPKN2
SCHEMBL23084085 0.81 RECQL (0.66) CLK2CLK4PRKXCAMK2DPKN2
SCHEMBL28573658 0.80 MAOB (0.73) CLK2CLK4PRKXCAMK2DPKN2

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-7435744-B2 Piperidine derivatives as NMDA receptor antagonists GEDEON RICHTER VEGYESZETI GYAR RT (HU) 2008-10-14 US disclosed
CN-100413860-C piperidine derivatives as NMDA receptor antagonists HUNGARY GIREL GYOGYSZERGYAR (HU) 2008-08-27 CN disclosed
CN-1556805-A piperidine derivatives as NMDA receptor antagonists ������ҩ�����޹�˾ 2004-12-22 CN disclosed
US-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists UCB Biopharma SRL (BE) 2004-08-12 US disclosed
EP-1409477-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2004-04-21 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 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-20040157886-A1 Piperdine derivatives as NMDA receptor antagonists GRIN1, GRIN2D, GRIN2C CLK2 2688/4885CLK4 2774/4885PRKX 2193/4885

“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.