SCHEMBL3280907

SCHEMBL3280907

COc1cc2c(cc1OCCCN1CCOCC1)CNC=[N+]2[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CHEK1 O14757 4/20 0.46
KDM1A O60341 1/20 0.43
AXL P30530 1/20 0.42
SRC P12931 5/20 0.42
SYK P43405 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 2/20 0.40
EGFR P00533 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL6881241 0.90 CHEK1 (0.42) CHEK1SRCKDREGFR
SCHEMBL6487213 0.82 TSHR (0.46) TSHREGFRALDH1A1SMN1; SMN2
SCHEMBL3280903 0.72 TSHR (0.47) CYP2D6TSHRCHEK1KDM1AAXL
SCHEMBL27958219 0.71 CYP2D6 (0.66) CYP2D6TSHRCHEK1SRCSYK
SCHEMBL7094017 0.69 SYK (0.52) CYP2D6TSHRCHEK1SYKKDM4E
SCHEMBL3813076 0.69 CYP2D6 (0.61) CYP2D6TSHRSYKKDM4ETDP1
SCHEMBL11961176 0.69 TSHR (0.61) CYP2D6TSHRSYKKDM4ETDP1
SCHEMBL12781675 0.69 CYP2D6 (0.57) CYP2D6TSHRSYKKDM4ETDP1
SCHEMBL1667163 0.68 AXL (0.61) CYP2D6TSHRAXLSRCSYK
SCHEMBL12448367 0.68 AXL (0.61) CYP2D6TSHRAXLSRCSYK

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 CYP2D6 16/4885TSHR 4724/4885CHEK1 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.