SCHEMBL5129003

SCHEMBL5129003

Clc1nc(NCCc2ccc3c(c2)OCO3)c2cc(Cl)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.46
PDE5A O76074 3/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
APP P05067 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7014005 0.89 BCDIN3D (0.46) BCDIN3DPDE5AMEN1KMT2AFLT1
SCHEMBL5123186 0.89 PDE5A (0.50) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5129749 0.89 BCDIN3D (0.46) BCDIN3DPDE5AMEN1KMT2AFLT1
SCHEMBL5122654 0.87 FLT1 (0.44) BCDIN3DPDE5AMEN1KMT2AFLT1
SCHEMBL5130222 0.85 PDE5A (0.44) BCDIN3DPDE5AMEN1KMT2AFLT1
SCHEMBL5117565 0.85 PRKCI (0.48) BCDIN3DPDE5AMEN1KMT2AALDH1A1
SCHEMBL7618932 0.85 PDE5A (0.57) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5128694 0.83 BCDIN3D (0.40) BCDIN3DPDE5AMEN1KMT2AFLT1
SCHEMBL5129787 0.83 METAP1 (0.47) BCDIN3DPDE5AKMT2AADORA2AADORA1
SCHEMBL5122859 0.83 BCDIN3D (0.43) BCDIN3DPDE5AMEN1KMT2AFLT1

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 7 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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP 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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
US-5948911-A Method for inhibiting neoplastic cells and related conditions by exposure to thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 1999-09-07 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 2002/4885MEN1 696/4885

“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.