SCHEMBL3280903

SCHEMBL3280903

COc1cc2c(cc1OCCCN1CCOCC1)CNC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
CYP2D6 P10635 1/20 0.47
CHEK1 O14757 5/20 0.47
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KDM1A O60341 1/20 0.44
MAPK1 P28482 2/20 0.43
AXL P30530 1/20 0.42
SRC P12931 2/20 0.42
HTR1A P08908 1/20 0.42
SYK P43405 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6881236 0.90 PDE3B (0.45) CHEK1
SCHEMBL6487209 0.82 TSHR (0.47) TSHRMAPK1ALDH1A1GAAHSD17B10
SCHEMBL15613194 0.80 EGFR (0.46) TSHRCYP2D6CHEK1AXLSRC
SCHEMBL31016533 0.78 CHEK1 (0.55) TSHRCYP2D6CHEK1TDP1KDM4E
SCHEMBL2836782 0.77 PDE3B (0.61) TSHRMAPK1SRCALDH1A1GAA
SCHEMBL7094017 0.74 SYK (0.52) TSHRCYP2D6CHEK1KDM4EMAPK1
SCHEMBL3280907 0.72 CYP2D6 (0.46) TSHRCYP2D6CHEK1TDP1KDM4E
SCHEMBL27958219 0.71 CYP2D6 (0.66) TSHRCYP2D6CHEK1TDP1KDM4E
SCHEMBL6031474 0.71 EGFR (0.50)
SCHEMBL6433993 0.70 SRC (0.56) TSHRCYP2D6CHEK1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060003999-A1 Process for the preparation of 4-(3'-chloro-4'-fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2006-01-05 US claimed
US-7705145-B2 Process for the preparation of 4-(3′-chloro-4′-fluoroanilino) -7-methoxy-6-(3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2010-04-27 US disclosed
US-20060003999-A1 Process for the preparation of 4-(3'-chloro-4'-fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline ASTRAZENECA AB (SE) 2006-01-05 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-20060003999-A1 Process for the preparation of 4-(3'-chloro-4'-fluoroanilino) -7-methoxy-6- (3-morpholinopropoxy) quinazoline CYP3A7, CYP3A5, CYP4B1 TSHR 4724/4885CYP2D6 16/4885CHEK1 2126/4885

“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.