SCHEMBL535379

SCHEMBL535379

OCCCCCCCCOc1cccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
MAPT P10636 7/20 0.60
KDM4E B2RXH2 6/20 0.60
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
GAA P10253 1/20 0.60
POLB P06746 1/20 0.57
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL2487839 0.98 RAB9A (0.63) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL595019 0.93 RAB9A (0.65) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL2485504 0.88 MAPT (0.66) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL10647335 0.84 MCHR1 (0.67) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL9632939 0.84 MCHR1 (0.67) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL16114005 0.84 MCHR1 (0.67) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL18691791 0.84 MCHR1 (0.67) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL4947880 0.83 KDM4E (0.69) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL27858514 0.83 KDM4E (0.69) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL28900561 0.82 RAB9A (0.63) RAB9ANPC1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 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 (3 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-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 RAB9A 2039/4885NPC1 142/4885MAPT 4756/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 RAB9A 2484/4885NPC1 610/4885MAPT 4779/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 RAB9A 2428/4885NPC1 505/4885MAPT 4519/4885

“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.