Sugi Predict

Sugi Predict / Compounds / SCHEMBL15701545

SCHEMBL15701545

SCHEMBL15701545

CC(C)(C)c1ccc(Oc2ccc3ccnn3c2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ DRD2 P14416 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ ESRRA P11474 2/20 0.34
▸ FFAR1 O14842 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ ACACB O00763 1/20 0.32

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
SCHEMBL15701559 0.87 EGFR (0.39) CYP2C19ALDH1A1DRD2DRD4DRD3
SCHEMBL3483796 0.82 PDE7A (0.41) CYP2C19ALDH1A1HPGDDRD2DRD4
SCHEMBL15703638 0.79 CYP2C19 (0.40) CYP2C19ALDH1A1HPGDNPBWR1MCHR1
SCHEMBL11435437 0.76 CYP2C19 (0.51) CYP2C19ALDH1A1HPGDRXRARXRB
SCHEMBL3484788 0.76 PDE7A (0.56) CYP2C19ALDH1A1HPGDKDM4EGAA
SCHEMBL12732664 0.73 CYP2C19 (0.49) CYP2C19ALDH1A1HPGDRXRARXRB
SCHEMBL13292357 0.73 SLC6A2 (0.37) ALDH1A1HPGDDRD2DRD4DRD3
SCHEMBL12733355 0.72 HTR2A (0.50) CYP2C19ESRRAHTR2A
SCHEMBL21563126 0.71 EGFR (0.42) CYP2C19ALDH1A1HPGDDRD2DRD4
SCHEMBL22904762 0.71 CYP2C19 (0.47) CYP2C19ALDH1A1HPGDRXRARXRB

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
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS INC (US) 2016-02-04 — — US disclosed
US-9187459-B2 Quinazoline-7-ether compounds and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-11-17 — — US disclosed
US-9090588-B2 Alkyne substituted quinazoline compound and methods of use NEWGEN THERAPEUTICS, INC. (US) 2015-07-28 — — US disclosed
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-08-07 — — US disclosed
US-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE NEWGEN THERAPEUTICS, INC. (US) 2014-05-08 — — 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-20140128417-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 CYP2C19 891/4885ALDH1A1 1978/4885HPGD 1084/4885
US-20160031860-A1 ALKYNE SUBSTITUTED QUINAZOLINE COMPOUND AND METHODS OF USE ERBB2, ERBB4, ERBB3 CYP2C19 891/4885ALDH1A1 1978/4885HPGD 1084/4885
US-20140221406-A1 QUINAZOLINE-7-ETHER COMPOUNDS AND METHODS OF USE ABL1, ERBB4, ERBB2 CYP2C19 2189/4885ALDH1A1 3808/4885HPGD 3163/4885

“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.