SCHEMBL20564658

SCHEMBL20564658

Nc1nc(N)c2cccc(Br)c2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.56
DCPS Q96C86 1/20 0.48
BACE1 P56817 2/20 0.46
ADORA1 P30542 2/20 0.45
ADORA2A P29274 1/20 0.41
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
DHFR P00374 3/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
PRMT5 O14744 1/20 0.37
PRMT3 O60678 1/20 0.37
CARM1 Q86X55 1/20 0.37
EHMT2 Q96KQ7 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL558306 0.81 HTT (0.46) HRH4DCPSBACE1ADORA1ENPP3
SCHEMBL29209692 0.81 HRH4 (0.47) HRH4BACE1ADORA1ADORA2AENPP3
SCHEMBL30881846 0.81 HRH4 (0.47) HRH4BACE1ADORA1ADORA2AENPP3
SCHEMBL29663394 0.81 HTT (0.46) HRH4DCPSBACE1ADORA1ENPP3
SCHEMBL841670 0.80 ADORA1 (0.56) HRH4DCPSBACE1ADORA1ENPP3
SCHEMBL27621922 0.76 CYP1A2 (0.53) DCPSADORA1ADORA2AALDH1A1CYP1A2
SCHEMBL18012605 0.75 ADORA2A (0.53) HRH4BACE1ADORA1ADORA2A
SCHEMBL1033638 0.73 HRH4 (1.00) HRH4
SCHEMBL21500669 0.73 NPC1 (0.60) ADORA1ADORA2AALDH1A1
SCHEMBL29895955 0.73 NPC1 (0.60) ADORA1ADORA2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11318137-B2 Quinazoline compounds as modulators of Ras signaling VANDERBILT UNIVERSITY (US) 2022-05-03 US disclosed
US-20200253974-A1 QUINAZOLINE COMPOUNDS AS MODULATORS OF RAS SIGNALING VANDERBILT UNIVERSITY 2020-08-13 US disclosed
WO-2018212774-A1 QUINAZOLINE COMPOUNDS AS MODULATORS OF RAS SIGNALING VANDERBILT UNIVERSITY (US) 2018-11-22 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 (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-20200253974-A1 QUINAZOLINE COMPOUNDS AS MODULATORS OF RAS SIGNALING NRAS, KRAS, MAVS HRH4 861/4885DCPS 3927/4885BACE1 4802/4885
US-11318137-B2 Quinazoline compounds as modulators of Ras signaling NRAS, KRAS, MAVS HRH4 861/4885DCPS 3927/4885BACE1 4802/4885

“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.