SCHEMBL5129787

SCHEMBL5129787

Clc1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3ccccn3)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
JAK2 O60674 1/20 0.47
PPP1CA P62136 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
METAP2 P50579 2/20 0.45
KDM4E B2RXH2 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
PDE5A O76074 1/20 0.41
HIF1A Q16665 1/20 0.41
ALDH1A1 P00352 2/20 0.41
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7609294 0.95 METAP1 (0.47) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL5116032 0.91 USP1 (0.50) L3MBTL1KMT2APDE5AHIF1AALDH1A1
SCHEMBL5124964 0.89 METAP1 (0.47) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL5129614 0.89 METAP1 (0.47) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL5122882 0.89 BCDIN3D (0.41) KMT2AKDM4EADORA2AADORA1PDE5A
SCHEMBL7512040 0.88 METAP1 (0.43) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL5116027 0.87 USP1 (0.47) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL7515049 0.85 BCDIN3D (0.41) KDM4EADORA2AADORA1PDE5AUSP1
SCHEMBL5126388 0.85 L3MBTL1 (0.43) METAP1L3MBTL1JAK2PPP1CAKMT2A
SCHEMBL5128120 0.85 MEN1 (0.45) L3MBTL1KMT2AADORA2AADORA1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US 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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 METAP1 954/4885L3MBTL1 2278/4885JAK2 56/4885

“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.