SCHEMBL5129749

SCHEMBL5129749

CCc1cc2c(NCCc3ccc4c(c3)OCO4)nc(Cl)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCDIN3D Q7Z5W3 1/20 0.46
PDE5A O76074 3/20 0.46
FLT1 P17948 3/20 0.42
KDR P35968 3/20 0.42
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
CNR1 P21554 1/20 0.40
APP P05067 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5127813 0.90 PDE5A (0.47) PDE5AALDH1A1MEN1KMT2ATSHR
SCHEMBL7014005 0.89 BCDIN3D (0.46) BCDIN3DPDE5AFLT1KDRALDH1A1
SCHEMBL5129003 0.89 BCDIN3D (0.46) BCDIN3DPDE5AFLT1KDRKDM4E
SCHEMBL5122654 0.86 FLT1 (0.44) BCDIN3DPDE5AFLT1KDRALDH1A1
SCHEMBL5123545 0.84 PRKCI (0.64) BCDIN3DPDE5AFLT1KDRPRKCI
SCHEMBL5121525 0.83 ICAM1 (0.44) PDE5APRKCIKDM4EALDH1A1HSD17B10
SCHEMBL7519905 0.83 PRKCI (0.58) BCDIN3DPDE5AFLT1KDRPRKCI
SCHEMBL5130222 0.82 PDE5A (0.44) BCDIN3DPDE5AFLT1KDRALDH1A1
SCHEMBL5115111 0.82 PRKCI (0.46) BCDIN3DPDE5AFLT1KDRPRKCI
SCHEMBL5129614 0.82 METAP1 (0.47) BCDIN3DPDE5APRKCIKDM4EALDH1A1

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 2002/4885FLT1 18/4885

“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.