SCHEMBL4375119

SCHEMBL4375119

[CH2]C(c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.50
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
AOC3 Q16853 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CASR P41180 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL6508386 0.86 SLC6A2 (0.45) ACP3MEN1KMT2AMAPTRAB9A
SCHEMBL6502308 0.83 CYP19A1 (0.50) MEN1KMT2AALDH1A1OPRM1OPRD1
SCHEMBL28286979 0.81 ALDH1A1 (0.44) ACP3ALDH1A1TSHRAOC3OPRM1
SCHEMBL28029483 0.81 ACP3 (0.43) ACP3MEN1KMT2AALDH1A1TSHR
SCHEMBL27952753 0.81 ACP3 (0.43) ACP3MEN1KMT2AALDH1A1TSHR
SCHEMBL25310844 0.81 ALDH1A1 (0.44) ACP3ALDH1A1TSHRAOC3OPRM1
SCHEMBL15536895 0.81 ACP3 (0.52) ACP3MEN1KMT2AALDH1A1TSHR
SCHEMBL3397815 0.81 PNMT (0.44) ACP3ALDH1A1TSHRAOC3OPRM1
SCHEMBL6273785 0.81 ACP3 (0.47) ACP3MEN1KMT2AALDH1A1TSHR
SCHEMBL28063474 0.81 PNMT (0.44) ACP3ALDH1A1TSHRAOC3OPRM1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP claimed
US-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US claimed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US claimed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP claimed
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2004-04-22 US claimed
EP-1296996-A1 PURINE DERIVATIVES Pfizer Limited (GB) 2003-04-02 EP claimed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP claimed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US claimed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 US claimed
WO-2002000676-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-01-03 WO claimed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 WO claimed
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US disclosed
US-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PFIZER INC 2006-06-08 US disclosed
EP-1292604-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES Pfizer Limited (GB) 2003-03-19 EP disclosed
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 US disclosed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 US disclosed
WO-2002000676-A1 PURINE DERIVATIVES PFIZER LIMITED (GB) 2002-01-03 WO disclosed
WO-2001094368-A1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LIMITED (GB) 2001-12-13 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 (4 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-20060122145-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ACP3 3117/4885MEN1 2709/4885KMT2A 2593/4885
US-20040077584-A1 2-Aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A2 ACP3 3450/4885MEN1 2428/4885KMT2A 2578/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 ACP3 3569/4885MEN1 2518/4885KMT2A 4442/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 ACP3 3523/4885MEN1 2240/4885KMT2A 3004/4885

“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.