SCHEMBL14964692

SCHEMBL14964692

O=C(OCc1ccccc1)N1CC2CCNC2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CYP2C19 P33261 1/20 0.51
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GRIN2B Q13224 5/20 0.47
HTR2C P28335 1/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
HTT P42858 1/20 0.44
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL3058628 1.00 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL16765291 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL16765293 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL16764765 0.93 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL12563578 0.90 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL31288381 0.90 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
Hydrochloric Acid SCHEMBL1993108 0.89 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
Hydrochloric Acid SCHEMBL31288372 0.89 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL1795685 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL3335937 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19F13A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780342-B1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-06-01 EP disclosed
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US disclosed
EP-2780342-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2014-09-24 EP disclosed
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US disclosed
WO-2013071697-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2013-05-23 WO 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-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE ABL1, PRKDC, JAK2 SMN1; SMN2 3702/4885NPC1 2725/4885RAB9A 1081/4885

“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.