SCHEMBL7604885

SCHEMBL7604885

Cc1nccn1-c1nc(NCCSCCO)c2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
PGK1 P00558 1/20 0.40
MAPK1 P28482 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
PTGS1 P23219 1/20 0.39
TBXAS1 P24557 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SLC2A1 P11166 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 3/20 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
SCHEMBL7615097 0.83 LATS1 (0.43) PDE5AKDM4EALOX15PGK1MAPK1
SCHEMBL7610950 0.82 PDE5A (0.41) PDE5AKDM4EALOX15PGK1MAPK1
SCHEMBL7612662 0.82 PDE5A (0.41) PDE5AKDM4EALOX15PGK1MAPK1
SCHEMBL7280595 0.79 PDE5A (0.61) PDE5AKDM4EMAPK1HRH4PTGS1
SCHEMBL7610886 0.79 PDE5A (0.43) PDE5AKDM4EALOX15PGK1MAPK1
SCHEMBL7610675 0.79 PDE5A (0.69) PDE5APTGS1TBXAS1PTGS2PDE3B
SCHEMBL7606224 0.75 MAPK1 (0.55) PDE5AKDM4EMAPK1TAAR1HTT
SCHEMBL7613509 0.73 METAP1 (0.67) PDE5AKDM4EALOX15MAPK1HTT
SCHEMBL7616903 0.72 KDM4E (0.41) PDE5AKDM4EALOX15PGK1MAPK1
SCHEMBL7611425 0.71 KDM4E (0.42) PDE5AKDM4EALOX15MAPK1HRH4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-02-28 US disclosed
US-5439895-A Cardiovascular disorders; inhibitor of thromboxane A2 synthetase and cyclic guanosine 3',5'-monophosphate ONO PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 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-20020025968-A1 Method for inhibiting neoplastic cells and related conditions by exposure to 4-aminoquinazoline derivatives VHL, MCL1, NFATC1 PDE5A 3794/4885KDM4E 1236/4885ALOX15 2346/4885

“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.