SCHEMBL4907105

SCHEMBL4907105

N#Cc1ccccc1N1CCN(c2cc(Cl)nc3[nH]cnc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.41
▸ TACR3 P29371 1/20 0.40
▸ DRD2 P14416 5/20 0.40
▸ DRD3 P35462 3/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ PHGDH O43175 1/20 0.40
▸ SLC2A1 P11166 1/20 0.36
▸ SLC2A2 P11168 1/20 0.36
▸ SLC2A3 P11169 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL4908036 0.80 PLD1 (0.43) —
Hydrochloric Acid SCHEMBL4901832 0.79 KDM4A (0.43) DRD4
SCHEMBL4910119 0.78 NPC1 (0.47) DRD4DRD2DRD3CNR1
SCHEMBL18114683 0.76 MAPT (0.42) —
SCHEMBL30818742 0.76 MAPT (0.42) —
SCHEMBL3088832 0.71 DRD4 (0.54) DRD4DRD2DRD3PHGDHSLC2A1
SCHEMBL5274973 0.70 PARP1 (0.41) DRD4DRD2DRD3CNR1
SCHEMBL23277098 0.70 KDM4E (0.58) DRD4DRD2DRD3CNR1HTR2A
SCHEMBL14183770 0.68 RECQL (0.53) DRD4DRD2DRD3RECQL
SCHEMBL829177 0.64 AR (0.65) DRD4DRD2

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-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 DRD4 2822/4885TACR3 4240/4885DRD2 2116/4885

“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.

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