SCHEMBL5137299

SCHEMBL5137299

COc1cc2nc(N3CCCCC3)nc(N)c2cc1OC

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.76
APAF1 O14727 1/20 0.76
ALDH1A1 P00352 1/20 0.76
POLB P06746 1/20 0.76
MAPT P10636 1/20 0.76
HPGD P15428 1/20 0.76
UBE2N P61088 1/20 0.76
ADRA1D P25100 3/20 0.71
ADRA1B P35368 3/20 0.71
ADRA1A P35348 2/20 0.71
ADRA2A P08913 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
DRD3 P35462 1/20 0.65
KCNH2 Q12809 1/20 0.65

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
SCHEMBL11869688 0.99 KDM4E (0.78) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL31187488 0.93 KDM4E (0.82) KDM4EAPAF1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL29393496 0.91 POLB (0.80) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL31151021 0.89 EHMT2 (0.69) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL14877525 0.89 KDM4E (0.76) KDM4EAPAF1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL30555731 0.88 EHMT2 (0.68) KDM4EAPAF1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL11503536 0.87 POLB (0.74) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL7796182 0.87 KDM4E (0.90) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL31187491 0.87 POLB (0.62) KDM4EAPAF1ALDH1A1POLBMAPT
Aminodimethoxyquinazolinylpiperazine SCHEMBL32690190 0.86 KDM4E (1.00) KDM4EAPAF1ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034471-A1 Piperidinoquinazolines and a process for the preparation thereof ORION-YHTYMÄ OY (FI) 1981-08-26 EP claimed
US-8309133-B2 Nanoparticulate quinazoline derivative formulations ALKERMES PHARMA IRELAND LIMITED (IE) 2012-11-13 US disclosed
EP-1871345-B1 NANOPARTICULATE ERLOTINIB FORMULATIONS ELAN PHARMA INT LTD (IE) 2012-08-01 EP disclosed
EP-1871345-A1 NANOPARTICULATE QUINAZOLINE DERIVATIVE FORMULATIONS Elan Pharma International Limited (IE) 2008-01-02 EP disclosed
US-20060246142-A1 Nanoparticulate quinazoline derivative formulations ELAN PHARMA INTERNATIONAL, LIMITED 2006-11-02 US disclosed
WO-2006110811-A1 NANOPARTICULATE QUINAZOLINE DERIVATIVE FORMULATIONS ELAN PHARMA INTERNATIONAL LIMITED (IE) 2006-10-19 WO disclosed
EP-0892790-B1 NEW QUINAZOLINE-4-AMINO-2-(PIPERIDINE-1-YL-4-SUBSTITUTED) DERIVATIVES HAVING ANTI-HYPERTENSIVE ACTIVITY, A METHOD FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ROTTA RESEARCH LAB (IT) 2004-04-14 EP disclosed
EP-0034471-A1 Piperidinoquinazolines and a process for the preparation thereof ORION-YHTYMÄ OY (FI) 1981-08-26 EP disclosed
EP-0034471-A1 Piperidinoquinazolines and a process for the preparation thereof ORION-YHTYMÄ OY (FI) 1981-08-26 EP disclosed
US-3980650-A 4-Amino-pyrimidine derivatives N.V. KONINKLIJKE PHARMACEUTISCHE FABRIEKEN V/H BROCADES-STHEEMAN EN PHARMACIA (NL) 1976-09-14 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-20060246142-A1 Nanoparticulate quinazoline derivative formulations KRAS, NRAS, ABL1 KDM4E 3063/4885APAF1 4080/4885ALDH1A1 2763/4885

“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.