SCHEMBL15052022

SCHEMBL15052022

Oc1cccc(Nc2ncnc3ccc(-c4ccccc4)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 1.00
RAF1 P04049 11/20 1.00
GLA P06280 1/20 0.71
HTT P42858 1/20 0.71
LMNA P02545 5/20 0.63
CYP1A2 P05177 5/20 0.63
CYP3A4 P08684 5/20 0.63
USP2 O75604 4/20 0.63
CLK4 Q9HAZ1 4/20 0.63
MAPK1 P28482 3/20 0.63
MEN1 O00255 3/20 0.63
TSHR P16473 3/20 0.63
CYP2C19 P33261 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP2C9 P11712 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HIF1A Q16665 2/20 0.62
PIK3CD O00329 1/20 0.62
PIK3CA P42336 1/20 0.62
PIK3CB P42338 1/20 0.62

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
SCHEMBL15051952 0.95 BRAF (1.00) BRAFRAF1GLAHTTLMNA
SCHEMBL15052027 0.94 RAF1 (1.00) BRAFRAF1GLAHTTPIK3CD
SCHEMBL15077870 0.90 RAF1 (0.84) BRAFRAF1GLAHTTMAPK1
SCHEMBL15051491 0.88 BRAF (1.00) BRAFRAF1HTTLMNACYP1A2
SCHEMBL15051337 0.88 BRAF (0.84) BRAFRAF1HTTLMNACYP1A2
SCHEMBL15052033 0.87 RAF1 (1.00) BRAFRAF1GLAHTTLMNA
SCHEMBL15051780 0.87 BRAF (1.00) BRAFRAF1LMNACYP1A2CYP3A4
SCHEMBL15077874 0.86 BRAF (0.78) BRAFRAF1GLAHTTLMNA
SCHEMBL15052048 0.86 BRAF (0.78) BRAFRAF1GLAHTTLMNA
SCHEMBL15052102 0.86 BRAF (1.00) BRAFRAF1HTTLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785459-B2 Quinazoline compounds as kinase inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-07-22 US claimed
US-20130165458-A1 QUINAZOLINE COMPOUNDS AS KINASE INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2013-06-27 US claimed
US-8785459-B2 Quinazoline compounds as kinase inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-07-22 US disclosed
US-8785459-B2 Quinazoline compounds as kinase inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-07-22 US disclosed
US-8785459-B2 Quinazoline compounds as kinase inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-07-22 US disclosed
US-20130165458-A1 QUINAZOLINE COMPOUNDS AS KINASE INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2013-06-27 US disclosed
US-20130165458-A1 QUINAZOLINE COMPOUNDS AS KINASE INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2013-06-27 US disclosed
US-20130165458-A1 QUINAZOLINE COMPOUNDS AS KINASE INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2013-06-27 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 (1 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-20130165458-A1 QUINAZOLINE COMPOUNDS AS KINASE INHIBITORS CNKSR1, NRAS, HRAS BRAF 8/4885RAF1 10/4885GLA 2979/4885

“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.