SCHEMBL5999840

SCHEMBL5999840

Cc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
C5AR1 P21730 1/20 0.52
MEN1 O00255 2/20 0.49
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PNMT P11086 1/20 0.47
CLPP Q16740 5/20 0.45
SLC6A5 Q9Y345 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL1831804 0.87 C5AR1 (0.60) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL31095294 0.87 C5AR1 (0.60) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL20042770 0.87 CYP2C19 (0.49) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL183618 0.86 P2RX7 (0.53) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL5776588 0.85 KMT2A (0.53) KMT2AKDM4EALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL6298078 0.85 P2RX7 (0.52) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL10036330 0.85 KMT2A (0.55) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL29486422 0.85 KMT2A (0.58) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL29888556 0.85 KMT2A (0.55) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL19959258 0.85 KMT2A (0.58) KMT2AKDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108431001-B Fused ring pyrimidine compound or salt thereof 大鹏药品工业株式会社 2021-09-17 CN disclosed
EP-3381916-B1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2020-04-15 EP disclosed
US-10370372-B2 Fused pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-08-06 US disclosed
US-20180312505-A1 FUSED PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
EP-3381916-A1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2018-10-03 EP disclosed
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 US disclosed
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 (6 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 KMT2A 3908/4885KDM4E 3077/4885ALDH1A1 26/4885
US-20180312505-A1 FUSED PYRIMIDINE COMPOUND OR SALT THEREOF AR, NR5A1, FSHR KMT2A 1117/4885KDM4E 2033/4885ALDH1A1 1909/4885
US-10370372-B2 Fused pyrimidine compound or salt thereof AR, NR5A1, FSHR KMT2A 1117/4885KDM4E 2033/4885ALDH1A1 1909/4885
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof OPRL1, AVPR1A, AVPR2 KMT2A 2861/4885KDM4E 3617/4885ALDH1A1 686/4885
US-20040077671-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 KMT2A 4011/4885KDM4E 3411/4885ALDH1A1 25/4885
US-20030065179-A1 Sorbitol dehydrogenase inhibitors SLC5A1, SORD, SLC5A2 KMT2A 4011/4885KDM4E 3411/4885ALDH1A1 25/4885

“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.