SCHEMBL14585381

SCHEMBL14585381

CN(C)CCCNc1nc(CN2CCN(C(=O)C3CCCO3)CC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM1A O60341 1/20 0.48
▸ EHMT2 Q96KQ7 1/20 0.48
▸ TSHR P16473 1/20 0.46
▸ PARP1 P09874 1/20 0.46
▸ KCNK3 O14649 2/20 0.43
▸ KCNK9 Q9NPC2 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TERT O14746 3/20 0.43
▸ POLB P06746 2/20 0.42
▸ RAD52 P43351 1/20 0.41
▸ FASN P49327 2/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL14585392 0.88 KDM1A (0.51) ALDH1A1KMT2AKDM1AEHMT2PARP1
SCHEMBL14585382 0.87 KDM1A (0.53) ALDH1A1KMT2AKDM1AEHMT2MAPK1
SCHEMBL14585380 0.87 KDM1A (0.51) ALDH1A1KMT2AKDM1AEHMT2PARP1
SCHEMBL14585385 0.85 KDM1A (0.48) ALDH1A1KMT2AKDM1AEHMT2MAPK1
SCHEMBL14585436 0.84 KDM1A (0.50) ALDH1A1KMT2AKDM1AEHMT2MAPK1
SCHEMBL14585524 0.84 KDM1A (0.52) ALDH1A1KMT2AKDM1AEHMT2MAPK1
SCHEMBL14585525 0.84 KDM1A (0.51) ALDH1A1KDM1AEHMT2TSHRMAPK1
SCHEMBL14585376 0.84 KDM1A (0.52) ALDH1A1KDM4EKMT2AKDM1AEHMT2
SCHEMBL14585407 0.83 KDM1A (0.49) ALDH1A1KDM4EKMT2AKDM1AEHMT2
SCHEMBL14585531 0.83 KDM1A (0.48) ALDH1A1KDM4EKMT2AKDM1AEHMT2

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 3 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
WO-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 — — WO 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 2874/4885KDM4E 2177/4885GAA 3100/4885

“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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