SCHEMBL14585779

SCHEMBL14585779

CN(C)CCCNc1nc(CN2CCN(C)CC2)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ TERT O14746 3/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ KDM1A O60341 1/20 0.53
▸ EHMT2 Q96KQ7 1/20 0.53
▸ RAD52 P43351 4/20 0.53
▸ FLT3 P36888 6/20 0.53
▸ TOP2A P11388 2/20 0.52
▸ POLB P06746 3/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HRH4 Q9H3N8 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
SCHEMBL4631081 0.91 KDM1A (0.63) ALDH1A1MAPK1TERTKDM1AEHMT2
SCHEMBL14585295 0.90 KDM1A (0.55) ALDH1A1MAPK1TERTKDM1AEHMT2
SCHEMBL14585296 0.89 ALDH1A1 (0.51) ALDH1A1MAPK1TERTTLR9KDM1A
SCHEMBL14585310 0.89 KDM1A (0.54) ALDH1A1MAPK1TERTKDM1AEHMT2
SCHEMBL14585288 0.89 ALDH1A1 (0.51) ALDH1A1MAPK1TERTKDM1AEHMT2
SCHEMBL30958243 0.88 ALDH1A1 (0.55) ALDH1A1MAPK1TLR9KDM1AEHMT2
SCHEMBL4632298 0.88 ALDH1A1 (0.55) ALDH1A1MAPK1TLR9KDM1AEHMT2
SCHEMBL14585289 0.88 FLT3 (0.57) ALDH1A1MAPK1TERTKDM1AEHMT2
SCHEMBL14585297 0.88 MAPK1 (0.50) ALDH1A1MAPK1TERTKDM1AEHMT2
SCHEMBL14585352 0.88 ALDH1A1 (0.52) ALDH1A1MAPK1TERTKDM1AEHMT2

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 1 patent. 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

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 ALDH1A1 2874/4885MAPK1 1833/4885TERT 1627/4885

“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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