SCHEMBL14585303

SCHEMBL14585303

COc1cccc(CN2CCN(Cc3nc(NCCCN(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ KDM1A O60341 8/20 0.53
▸ EHMT2 Q96KQ7 6/20 0.53
▸ FLT3 P36888 2/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ RCOR1 Q9UKL0 7/20 0.51
▸ APP P05067 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ TERT O14746 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL14585340 0.94 KDM1A (0.52) RAD52POLBRXFP1KDM1AEHMT2
SCHEMBL14585305 0.91 POLB (0.61) RAD52POLBRXFP1KDM1AEHMT2
SCHEMBL4631081 0.90 KDM1A (0.63) RAD52POLBRXFP1KDM1AEHMT2
SCHEMBL14585335 0.89 KDM1A (0.54) RAD52POLBRXFP1KDM1AEHMT2
SCHEMBL14628154 0.88 KDM1A (0.54) RAD52POLBRXFP1KDM1AEHMT2
SCHEMBL14585299 0.88 KDM1A (0.54) RAD52POLBRXFP1KDM1AEHMT2
SCHEMBL14585342 0.88 KDM1A (0.54) RAD52POLBRXFP1KDM1AEHMT2
SCHEMBL14628243 0.88 KDM1A (0.54) RAD52POLBRXFP1KDM1AEHMT2
SCHEMBL14585311 0.88 KDM1A (0.56) RAD52POLBKDM1AEHMT2FLT3
SCHEMBL14585316 0.88 KDM1A (0.53) RAD52POLBRXFP1KDM1AEHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 — — US disclosed
US-20070032502-A1 Quinazoline derivatives useful in cancer treatment SCHERING CORPORATION 2007-02-08 — — 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-20070032502-A1 Quinazoline derivatives useful in cancer treatment TP53, ACIN1, TP53BP1 RAD52 920/4885POLB 1010/4885RXFP1 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.

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