SCHEMBL5118547

SCHEMBL5118547

FC(F)(F)c1cc2c(NCCc3ccccc3)nc(-c3cccnc3)nc2s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.62
PDE5A O76074 8/20 0.62
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP2C19 P33261 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
PTGS1 P23219 1/20 0.48
TBXAS1 P24557 1/20 0.48
PTGS2 P35354 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL5114950 0.90 PDE5A (0.61) GBA1PDE5AALDH1A1LMNACYP1A2
SCHEMBL5123744 0.89 KDM4E (0.60) GBA1PDE5AMAPK1PTGS1TBXAS1
SCHEMBL5127490 0.85 ADORA2A (0.48) GBA1PDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL5122806 0.85 GBA1 (0.64) GBA1PDE5AALDH1A1LMNACYP1A2
SCHEMBL7617081 0.85 MAPT (0.49) GBA1PDE5ALMNACYP1A2CYP3A4
SCHEMBL5123292 0.85 MAPT (0.55) GBA1PDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL5121842 0.85 GBA1 (0.66) GBA1PDE5AALDH1A1LMNACYP1A2
SCHEMBL5121366 0.85 GBA1 (0.66) GBA1PDE5AALDH1A1LMNACYP1A2
SCHEMBL5118875 0.83 POLB (0.61) GBA1PDE5AALDH1A1LMNACYP1A2
SCHEMBL8183227 0.82 PDE5A (0.47) GBA1PDE5AALDH1A1LMNACYP1A2

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 GBA1 4788/4885PDE5A 2002/4885ALDH1A1 1055/4885

“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.