SCHEMBL25361990

SCHEMBL25361990

COc1cc2c(NCCN(C)C)nc(N3CCCN(C)CC3)nc2cc1I

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT5A Q9NQR1 7/20 0.62
WHR1 P49842 1/20 0.61
EHMT2 Q96KQ7 12/20 0.59
EHMT1 Q9H9B1 7/20 0.59

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
SCHEMBL25361551 0.92 KMT5A (0.71) KMT5AWHR1
SCHEMBL25360225 0.91 KMT5A (0.70) KMT5AWHR1
SCHEMBL5049818 0.88 WHR1 (0.76) KMT5AWHR1EHMT2EHMT1
SCHEMBL25360591 0.86 KMT5A (0.77) KMT5AWHR1
SCHEMBL25362746 0.82 WHR1 (0.62) KMT5AWHR1EHMT2EHMT1
SCHEMBL25362742 0.82 WHR1 (0.62) KMT5AWHR1EHMT2EHMT1
SCHEMBL25363927 0.82 WHR1 (0.62) KMT5AWHR1EHMT2EHMT1
SCHEMBL25359230 0.82 EHMT2 (0.62) KMT5AWHR1EHMT2EHMT1
SCHEMBL25430396 0.82 EHMT2 (0.62) KMT5AWHR1EHMT2EHMT1
SCHEMBL30546999 0.82 EHMT2 (0.62) KMT5AWHR1EHMT2EHMT1

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 KMT5A 13/4885WHR1 996/4885EHMT2 1/4885
US-20230365530-A1 QUINAZOLINE-2,4-DIAMINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT EHMT2, EHMT1, HNMT KMT5A 5/4885WHR1 752/4885EHMT2 1/4885

“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.