SCHEMBL30546992

SCHEMBL30546992

COc1ccc2nc(N(C)C)nc(NC3CCN(C(C)C)CC3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.70
WHR1 P49842 6/20 0.62
SPIN1 Q9Y657 1/20 0.60
EHMT2 Q96KQ7 8/20 0.57
EHMT1 Q9H9B1 6/20 0.57
CCR4 P51679 1/20 0.49

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
SCHEMBL22144593 0.85 WHR1 (0.83) NSD2WHR1SPIN1EHMT2EHMT1
SCHEMBL31016453 0.85 NSD2 (0.73) NSD2WHR1EHMT2EHMT1CCR4
SCHEMBL30547012 0.83 NSD2 (0.65) NSD2WHR1EHMT2EHMT1CCR4
SCHEMBL25361879 0.82 WHR1 (0.71) NSD2WHR1SPIN1EHMT2EHMT1
SCHEMBL30546991 0.81 NSD2 (0.66) NSD2WHR1EHMT2
SCHEMBL26036314 0.79 EHMT2 (0.62) NSD2EHMT2EHMT1CCR4
SCHEMBL21486543 0.77 NSD2 (0.73) NSD2WHR1EHMT2EHMT1CCR4
SCHEMBL31016435 0.77 NSD2 (0.73) NSD2WHR1EHMT2EHMT1CCR4
SCHEMBL22144718 0.76 WHR1 (1.00) NSD2WHR1SPIN1EHMT2EHMT1
SCHEMBL25361475 0.74 EHMT1 (0.65) NSD2WHR1SPIN1EHMT2EHMT1

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-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT OMIC SMAP INC. (KR) 2023-11-16 US claimed
EP-4230624-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT The Asan Foundation (KR) 2023-08-23 EP claimed
US-12630531-B2 Quinazoline-2,4-diamine derivative and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient OMIC SMAP INC. (KR) 2026-05-19 US disclosed
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT OMIC SMAP INC. (KR) 2023-11-16 US disclosed
EP-4230624-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT The Asan Foundation (KR) 2023-08-23 EP 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-12630531-B2 Quinazoline-2,4-diamine derivative and pharmaceutical composition for preventing or treating cancer comprising same as active ingredient EHMT2, EHMT1, HNMT NSD2 61/4885WHR1 996/4885SPIN1 2932/4885
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT EHMT2, EHMT1, HNMT NSD2 39/4885WHR1 752/4885SPIN1 1164/4885

“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.