SCHEMBL5124544

SCHEMBL5124544

Cc1sc2nc(-n3cncn3)nc(NCc3ccccc3)c2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.39
PTGS1 P23219 1/20 0.38
TBXAS1 P24557 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
ESR1 P03372 2/20 0.38
PDE10A Q9Y233 2/20 0.37
CHRM4 P08173 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HTR3A P46098 1/20 0.36
APP P05067 1/20 0.36
CDK1 P06493 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL5130532 0.90 CHRM4 (0.39) PTGS2ESR1PDE10ACHRM4KDM4E
SCHEMBL5116019 0.90 ALDH1A1 (0.47) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL5128545 0.87 PDE10A (0.36) PDE10ACHRM4KDM4EALDH1A1LMNA
SCHEMBL5123615 0.85 KCNN3 (0.42) PDE5APDE3BPDE3AALDH1A1HRH4
SCHEMBL5123265 0.84 ESR1 (0.38) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL5119295 0.84 TSHR (0.43) PDE5ACHRM4LMNASMN1; SMN2APP
SCHEMBL5122317 0.83 BCDIN3D (0.43) PDE5ACHRM4
SCHEMBL5120030 0.82 CHRM4 (0.42) PDE5APDE10ACHRM4KDM4EALDH1A1
SCHEMBL5128280 0.82 CHRM4 (0.41) PDE5ACHRM4KDM4EALDH1A1LMNA
SCHEMBL5129526 0.82 PDE5A (0.56) PDE5APTGS1TBXAS1PTGS2PDE3B

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 PDE5A 2002/4885PTGS1 1420/4885TBXAS1 70/4885

“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.