SCHEMBL3613499

SCHEMBL3613499

CN(C)C1C2CN(Cc3ccccc3)CC21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.51
SIGMAR1 Q99720 1/20 0.48
ACHE P22303 1/20 0.47
EED O75530 1/20 0.46
MC4R P32245 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR5 Q9H228 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GBA1 P04062 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 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
SCHEMBL13102907 1.00 FUCA1 (0.51) FUCA1SIGMAR1ACHEEEDMC4R
SCHEMBL14260171 1.00 FUCA1 (0.51) FUCA1SIGMAR1ACHEEEDMC4R
SCHEMBL4366661 0.84 FUCA1 (0.50) FUCA1SIGMAR1ACHEEEDMC4R
SCHEMBL2300893 0.83 ACHE (0.49) FUCA1SIGMAR1ACHEEEDCYP1A2
SCHEMBL16759827 0.82 FUCA1 (0.64) FUCA1SIGMAR1ACHEMC4RS1PR1
SCHEMBL16775256 0.82 FUCA1 (0.64) FUCA1SIGMAR1ACHEMC4RS1PR1
SCHEMBL1014405 0.82 FUCA1 (0.53) FUCA1SIGMAR1ACHES1PR1S1PR5
SCHEMBL8176845 0.81 FUCA1 (0.55) FUCA1SIGMAR1ACHEEEDMC4R
SCHEMBL8168773 0.81 FUCA1 (0.50) FUCA1SIGMAR1ACHES1PR1S1PR5
SCHEMBL4244921 0.79 FUCA1 (0.56) FUCA1SIGMAR1ACHEMC4RS1PR1

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 11 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
US-9181277-B2 Aminoquinazoline derivatives and their salts and methods of use SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-10 US 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
US-20140228361-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-08-14 US 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
WO-2013071697-A1 AMINOQUINAZOLINE DERIVATIVES AND THEIR SALTS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2013-05-23 WO disclosed
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 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 (2 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 FUCA1 4784/4885SIGMAR1 3704/4885ACHE 4828/4885
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 FUCA1 2362/4885SIGMAR1 476/4885ACHE 131/4885

“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.