SCHEMBL183618

SCHEMBL183618

Cc1nc2c(c(-c3ccccc3)n1)CCN(Cc1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.53
C5AR1 P21730 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PARP1 P09874 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
PNMT P11086 1/20 0.42

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
Hydrochloric Acid SCHEMBL6298078 0.99 P2RX7 (0.52) P2RX7C5AR1KMT2AMEN1PARP1
SCHEMBL5999840 0.86 KMT2A (0.56) C5AR1KMT2AMEN1PARP1TNKS2
SCHEMBL4147065 0.85 C5AR1 (0.57) C5AR1KMT2AMEN1PARP1TNKS2
SCHEMBL22720571 0.85 KMT2A (0.48) C5AR1KMT2AMEN1PARP1TNKS2
SCHEMBL16034465 0.84 KMT2A (0.53) P2RX7C5AR1KMT2AMEN1PARP1
SCHEMBL183374 0.84 PARP1 (0.46) C5AR1KMT2AMEN1PARP1TNKS2
SCHEMBL183455 0.83 HTR2A (0.51) C5AR1KMT2AMEN1PARP1TNKS2
SCHEMBL183675 0.81 HTR2A (0.64) C5AR1KMT2AMEN1PARP1TNKS2
SCHEMBL4468023 0.80 KDM4E (0.59) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL12386805 0.80 P2RX7 (0.50) P2RX7C5AR1KMT2AMEN1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP claimed
US-6936600-B2 Sorbitol dehrydrogenase inhibitors PFIZER INC (US) 2005-08-30 US disclosed
US-6869943-B2 Sorbitol dehydrogenase inhibitors PFIZER INC (US) 2005-03-22 US disclosed
US-20050020578-A1 Sorbitol dehydrogenase inhibitors PFIZER INC. 2005-01-27 US disclosed
US-20040077671-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2004-04-22 US disclosed
US-6660740-B1 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-12-09 US disclosed
US-6602875-B2 Sorbitol dehydrogenase inhibitors PFIZER INC 2003-08-05 US disclosed
US-20030065179-A1 Sorbitol dehydrogenase inhibitors CHU-MOYER MARGARET Y (US) 2003-04-03 US disclosed
US-6414149-B1 TREATING DIABETES, TREATING OR PREVENTING DIABETIC COMPLICATIONS PFIZER INC. 2002-07-02 US disclosed
EP-1185275-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS Pfizer Products Inc. (US) 2002-03-13 EP disclosed
WO-2000059510-A1 AMINOPYRIMIDINES AS SORBITOL DEHYDROGENASE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-10-12 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 (3 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-20050020578-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 P2RX7 3762/4885C5AR1 1372/4885KMT2A 3908/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 P2RX7 3888/4885C5AR1 2044/4885KMT2A 4011/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 P2RX7 3888/4885C5AR1 2044/4885KMT2A 4011/4885

“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.