SCHEMBL9687495

SCHEMBL9687495

CCOC(Cc1c(N)nc(N)[nH]c1=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 4/20 0.38
HIF1A Q16665 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CDK2 P24941 1/20 0.38
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
TYMS P04818 1/20 0.34
PNP P00491 1/20 0.33
GART P22102 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL7841194 0.86 KMT2A (0.40) MAPK1NPSR1KMT2AHIF1AMAPT
SCHEMBL9688605 0.85 KMT2A (0.50) MAPK1TSHRNPSR1KMT2AHIF1A
SCHEMBL6217873 0.74 HTT (0.33) CDK1CDK2MAPTALDH1A1GAA
SCHEMBL28428691 0.72 KMT2A (0.40) NPSR1KMT2AMEN1MAPTALDH1A1
SCHEMBL12957011 0.71 MAPK1 (0.78) MAPK1TSHRNPSR1KMT2AMEN1
SCHEMBL9700257 0.68 KDM4E (0.44) NPSR1MAPT
SCHEMBL12040852 0.68 MAPT (0.33) MAPT
SCHEMBL2566115 0.68 MAPT (0.33) MAPT
SCHEMBL12395271 0.67 KMT2A (0.31) KMT2A
SCHEMBL1002933 0.66 MAPT (0.32) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069349-A1 DEUTERIUM-ENRICHED PEMETREXED PROTIA, LLC (US) 2009-03-12 US disclosed
US-20090069349-A1 DEUTERIUM-ENRICHED PEMETREXED PROTIA, LLC (US) 2009-03-12 US disclosed
EP-0268377-B1 GLUTAMIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-18 EP disclosed
US-4940713-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1990-07-10 US disclosed
US-4880812-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-11-14 US disclosed
EP-0268377-A2 Glutamic acid derivatives, processes and intermediates for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1988-05-25 EP 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-20090069349-A1 DEUTERIUM-ENRICHED PEMETREXED DCTD, SAMHD1, DPYD MAPK1 3764/4885TSHR 3555/4885NPSR1 4674/4885

“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.