SCHEMBL16689307

SCHEMBL16689307

COc1cc2c(N)nc(N3CCNCC3)nc2c(Br)c1OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
APAF1 O14727 1/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.63
HPGD P15428 1/20 0.63
UBE2N P61088 1/20 0.63
CFD P00746 13/20 0.60
HTR1A P08908 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1A P35348 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL10992549 0.89 KDM4E (0.67) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL16689341 0.88 CFD (0.64) CFDHTR1AADRA2CADRA1AKCNH2
Water SCHEMBL10955232 0.88 KDM4E (0.66) KDM4EAPAF1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL11256287 0.88 KDM4E (0.66) KDM4EAPAF1ALDH1A1POLBMAPT
Water SCHEMBL10955227 0.88 KDM4E (0.66) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL16689321 0.86 KDM4E (0.63) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL16689308 0.86 KDM4E (0.63) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL16689298 0.83 CFD (0.61) KDM4EAPAF1ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL17697908 0.79 CFD (0.64) KDM4EAPAF1ALDH1A1POLBMAPT
SCHEMBL16689340 0.78 HTR1A (0.67) CFDHTR1AADRA2CADRA1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
US-9452990-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2016-09-27 US disclosed
EP-2864322-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2016-04-27 EP disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
US-20150126492-A1 Complement Pathway Modulators and Uses Thereof NOVARTIS AG (CH) 2015-05-07 US disclosed
EP-2864322-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-04-29 EP disclosed
WO-2013192345-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2013-12-27 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-20150126492-A1 Complement Pathway Modulators and Uses Thereof CFB, CFH, TFPI KDM4E 3839/4885APAF1 154/4885ALDH1A1 2221/4885

“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.