SCHEMBL18128474

SCHEMBL18128474

Cc1nccn1CCNc1nc(N2CCN(C(=O)O)CC2)c2cc(Cl)c(Br)c(F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KRAS P01116 11/20 0.40
F10 P00742 2/20 0.34
NAMPT P43490 1/20 0.33
CRBN Q96SW2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PIK3CD O00329 1/20 0.32
P2RY12 Q9H244 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
SCHEMBL18133916 0.92 KRAS (0.49) KRASCRBN
SCHEMBL31658110 0.90 TLR9 (0.38) KRAS
SCHEMBL18128518 0.90 TLR9 (0.38) KRAS
SCHEMBL18133917 0.88 SLC29A1 (0.36) KRASNAMPTALDH1A1
SCHEMBL19681378 0.82 KRAS (0.47) KRASCRBNP2RY12
SCHEMBL18128713 0.76 KRAS (0.54) KRASALDH1A1
SCHEMBL21370924 0.76 KRAS (0.60) KRAS
SCHEMBL16637205 0.75 ABL1 (0.39) KRAS
SCHEMBL18128469 0.75 KRAS (0.70) KRAS
SCHEMBL16637053 0.73 KRAS (0.35) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829458-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2020-11-10 US disclosed
US-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2019-09-19 US disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 US disclosed
EP-3280708-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF Araxes Pharma LLC (US) 2018-02-14 EP disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
WO-2016164675-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2016-10-13 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 (4 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-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885F10 1270/4885NAMPT 3415/4885
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS KRAS 1/4885F10 1270/4885NAMPT 3415/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KRAS 1/4885F10 1270/4885NAMPT 3415/4885
US-10829458-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS KRAS 1/4885F10 1270/4885NAMPT 3415/4885

“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.