SCHEMBL25361908

SCHEMBL25361908

COc1cc2c(NC3CCN(C(C)C)CC3)nc(Cl)nc2cc1I

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 9/20 0.65
NSD2 O96028 3/20 0.61
WHR1 P49842 5/20 0.59
EHMT1 Q9H9B1 4/20 0.58
CCR4 P51679 1/20 0.55
SPIN1 Q9Y657 1/20 0.51
PDE5A O76074 1/20 0.51

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
SCHEMBL31016448 0.91 EHMT2 (0.77) EHMT2NSD2WHR1EHMT1CCR4
SCHEMBL22144764 0.91 EHMT2 (0.77) EHMT2NSD2WHR1EHMT1CCR4
SCHEMBL31016443 0.91 EHMT2 (0.77) EHMT2NSD2WHR1EHMT1CCR4
SCHEMBL25364389 0.88 NSD2 (0.62) EHMT2NSD2WHR1EHMT1CCR4
SCHEMBL25360878 0.88 EHMT2 (0.83) EHMT2NSD2EHMT1
SCHEMBL25361364 0.86 EHMT2 (0.66) EHMT2NSD2EHMT1CCR4
SCHEMBL25361879 0.86 WHR1 (0.71) EHMT2NSD2WHR1EHMT1CCR4
SCHEMBL25360325 0.85 EHMT2 (0.65) EHMT2NSD2EHMT1
SCHEMBL25360864 0.85 EHMT2 (0.83) EHMT2WHR1EHMT1CCR4
SCHEMBL25361910 0.85 EHMT2 (0.63) EHMT2NSD2EHMT1CCR4

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-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
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
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 EHMT2 1/4885NSD2 61/4885WHR1 996/4885
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT EHMT2, EHMT1, HNMT EHMT2 1/4885NSD2 39/4885WHR1 752/4885

“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.