SCHEMBL5122882

SCHEMBL5122882

Clc1cc2c(NCCc3ccc4c(c3)OCO4)nc(-c3cnccn3)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.41
PDE5A O76074 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
KDR P35968 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FLT1 P17948 1/20 0.36
HPGD P15428 1/20 0.36
DYRK1A Q13627 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
PRKCI P41743 1/20 0.35

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
SCHEMBL7515049 0.97 BCDIN3D (0.41) BCDIN3DPDE5AMAPTNPSR1ADORA2A
SCHEMBL7617807 0.95 ADORA2A (0.39) BCDIN3DPDE5AMAPTNPSR1ADORA2A
SCHEMBL5125618 0.91 MAPT (0.50) PDE5AMAPTNPSR1ADORA2AADORA1
SCHEMBL5123081 0.90 PRKCI (0.47) BCDIN3DPDE5AMAPTNPSR1ADORA2A
SCHEMBL5122086 0.90 BCDIN3D (0.43) BCDIN3DPDE5AMAPTNPSR1ADORA2A
SCHEMBL5129787 0.89 METAP1 (0.47) BCDIN3DPDE5AMAPTNPSR1ADORA2A
SCHEMBL5812312 0.88 PRKCI (0.43) BCDIN3DPDE5AMAPTNPSR1ADORA2A
SCHEMBL7508918 0.88 BCDIN3D (0.41) BCDIN3DPDE5AMAPTNPSR1ADORA2A
SCHEMBL7520141 0.88 MAPT (0.47) PDE5AMAPTNPSR1KDM4ECYP1A2
SCHEMBL5122288 0.87 FLT1 (0.41) BCDIN3DPDE5AMAPTNPSR1ADORA2A

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-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO 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 BCDIN3D 1161/4885PDE5A 2002/4885MAPT 2997/4885

“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.