SCHEMBL7610465

SCHEMBL7610465

O=S(=O)(CCO)CCNc1nc(CCc2cccnc2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 9/20 0.53
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
PDE5A O76074 5/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C19 P33261 3/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
PKM P14618 2/20 0.44
EGFR P00533 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7606267 0.83 GBA1 (0.56) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL7611261 0.82 GBA1 (0.53) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL7608497 0.81 GBA1 (0.52) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL7435745 0.80 CYP1A2 (0.64) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL7605570 0.79 FLT3 (0.49) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL7605565 0.79 FLT3 (0.49) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL7606571 0.76 ALDH1A1 (0.48) ALDH1A1LMNAHPGDPDE5ABCHE
SCHEMBL7606590 0.75 KDM4E (0.62) ALDH1A1LMNAHPGDPDE5APOLB
SCHEMBL7611433 0.75 MAPK1 (0.53) GBA1ALDH1A1LMNAHPGDPDE5A
SCHEMBL7606509 0.74 PDE5A (0.66) PDE5APTGS1TBXAS1PTGS2

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 GBA1 3263/4885ALDH1A1 1566/4885LMNA 902/4885

“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.