SCHEMBL4906547

SCHEMBL4906547

Clc1nc(N2CCN(Cc3ccccc3)CC2)c2cc[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
DRD4 P21917 5/20 0.53
DRD2 P14416 3/20 0.53
DRD3 P35462 3/20 0.53
ACHE P22303 1/20 0.51
METTL3 Q86U44 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45

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
SCHEMBL1017284 0.80 JAK3 (0.58) ALDH1A1METTL3SMN1; SMN2HTR2C
SCHEMBL14183765 0.79 DRD4 (0.55) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL16416055 0.79 ALDH1A1 (0.71) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL1018704 0.78 JAK3 (0.59) ALDH1A1METTL3SMN1; SMN2HTR2C
SCHEMBL4908505 0.78 PLD1 (0.44) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL3130856 0.76 PIK3CA (0.72) MAPTKDM4EMETTL3SMN1; SMN2
SCHEMBL322735 0.74 HRH4 (0.49) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL2800151 0.73 DRD2 (0.63) DRD4DRD2DRD3METTL3GAA
SCHEMBL30611881 0.70 PDK1 (0.40) ALDH1A1KDM4EMETTL3HIF1A
SCHEMBL26107966 0.70 PDK1 (0.40) ALDH1A1KDM4EMETTL3HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 US disclosed
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 US disclosed
US-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof AVENTIS PHARMA S.A. (FR) 2008-05-22 US disclosed
EP-1841769-A2 PURINE DERIVATIVES COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AGAINST CANCER Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006075094-A2 PURINE DERIVATIVES COMPOSITIONS CONTAINING THE SAME AND USE THEREOF AGAINST CANCER AVENTIS PHARMA S.A (FR) 2006-07-20 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-20080119467-A1 Purine Derivatives, Compositions Containing Them and Use Thereof TYMP, HPRT1, IMPDH1 ALDH1A1 191/4885MAPT 4400/4885LMNA 2248/4885

“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.