SCHEMBL11949600

SCHEMBL11949600

Cc1ccc(F)c(Cl)c1Br

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
TNF P01375 1/20 0.33
RIPK1 Q13546 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.32
P2RX7 Q99572 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL7635249 0.81 P2RX7 (0.33) ACHECYP3A4RAPGEF4P2RX7HDAC1
SCHEMBL31713181 0.79 TNF (0.38) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL21598620 0.79 TNF (0.38) TNFRIPK1HTR2AHTR2CHTR2B
SCHEMBL13905953 0.77 ACHE (0.38) ACHECYP3A4TNFRIPK1RAPGEF4
SCHEMBL11261447 0.77 ACHE (0.38) ACHEHDAC1HDAC6
SCHEMBL2578269 0.77 ACHE (0.38) ACHECYP3A4TNFRIPK1RAPGEF4
SCHEMBL10262185 0.75 ACHE (0.36) ACHECYP3A4TNFRIPK1RAPGEF4
SCHEMBL30614630 0.75 ACHE (0.36) ACHEHDAC1HDAC6
SCHEMBL15703816 0.75 ACHE (0.36) ACHEHDAC1HDAC6
SCHEMBL19830027 0.75 CYP3A4 (0.36) CYP3A4HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2680850-B1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS INC (US) 2018-05-23 EP disclosed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 US disclosed
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-8987284-B2 Phosphorus containing quinazoline compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-03-24 US disclosed
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 US disclosed
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 US disclosed
WO-2012158979-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2012-11-22 WO disclosed
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2012-08-02 US disclosed
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. 2012-08-02 US disclosed
WO-2011002523-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE KANIONUSA INC. (US) 2011-01-06 WO disclosed
CN-101687812-A The 2-imidazolinium compounds that trace amine associated receptors (TAAR) is had good affinity HOFFMANN LA ROCHE 2010-03-31 CN 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-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE ABL1, ERBB4, ERBB2 ACHE 4334/4885CYP3A4 1401/4885TNF 4326/4885
US-20120196833-A1 PHOSPHORUS CONTAINING QUINAZOLINE COMPOUNDS AND METHODS OF USE PPIP5K2, PIK3CA, PHKA1 ACHE 2756/4885CYP3A4 3767/4885TNF 3617/4885

“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.