SCHEMBL7605402

SCHEMBL7605402

[O-][S+](CCO)CCNc1nc(-c2ccncc2)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
MAPK1 P28482 2/20 0.62
PDE5A O76074 5/20 0.58
PTGS1 P23219 1/20 0.58
TBXAS1 P24557 1/20 0.58
PTGS2 P35354 1/20 0.58
LATS1 O95835 2/20 0.57
LATS2 Q9NRM7 1/20 0.57
HPGD P15428 3/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 1/20 0.55
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
SIRT5 Q9NXA8 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.50

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
SCHEMBL7606488 0.86 MAPK1 (0.53) KDM4EMAPK1PDE5AHPGDLMNA
SCHEMBL3459468 0.85 MAPK1 (0.82) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL7610849 0.84 MAPK1 (0.51) KDM4EMAPK1PDE5AHPGDLMNA
SCHEMBL7610197 0.83 METAP1 (0.64) KDM4EMAPK1PDE5AHPGDLMNA
SCHEMBL3459768 0.83 PDE5A (0.76) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL7610689 0.82 GBA1 (0.75) KDM4EMAPK1PDE5AHPGDLMNA
SCHEMBL7616825 0.82 MAPK1 (0.49) KDM4EMAPK1PDE5AHPGDLMNA
SCHEMBL7610174 0.80 PDE5A (0.60) MAPK1PDE5AHPGDLMNAALDH1A1
SCHEMBL7606647 0.79 LATS1 (0.79) KDM4EMAPK1PDE5APTGS1TBXAS1
SCHEMBL7610651 0.79 KDM4E (0.65) KDM4EMAPK1PDE5APTGS1TBXAS1

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 KDM4E 1236/4885MAPK1 2711/4885PDE5A 3794/4885

“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.