SCHEMBL5118670

SCHEMBL5118670

Cc1cc2c(NCc3ccccc3)nc(-c3ccno3)nc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2D6 P10635 2/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ICAM1 P05362 1/20 0.42
SELE P16581 1/20 0.42
VCAM1 P19320 1/20 0.42
GBA1 P04062 1/20 0.40
ATM Q13315 1/20 0.40
PRKCI P41743 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL7516470 0.94 PDE5A (0.39) PDE5AMEN1KMT2ALMNACYP1A2
SCHEMBL5128845 0.91 FLT3 (0.41) PDE5AMEN1KMT2ALMNAALDH1A1
SCHEMBL5128617 0.89 PDE5A (0.42) PDE5AKMT2AGBA1PRKCIMAPK1
SCHEMBL5118146 0.88 ICAM1 (0.57) PDE5AMEN1KMT2ALMNACYP1A2
SCHEMBL5129162 0.87 PDE5A (0.43) PDE5AMEN1KMT2ALMNACYP1A2
SCHEMBL5130856 0.85 USP1 (0.43) CLK4PRKCIUSP1WDR48FLT3
SCHEMBL5121702 0.85 USP1 (0.45) PDE5AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5123397 0.85 PDE5A (0.49) PDE5AMEN1KMT2ACYP1A2CYP3A4
SCHEMBL5813584 0.84 METAP1 (0.40) PDE5AKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL5122125 0.84 NPC1 (0.47) PDE5AMEN1KMT2ANPC1POLB

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 PDE5A 2002/4885MEN1 696/4885KMT2A 388/4885

“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.