SCHEMBL15432504

SCHEMBL15432504

N#Cc1ncn(Cc2cccc(Br)c2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
ADRA2C P18825 1/20 0.43
CYP11B2 P19099 1/20 0.43
BRD4 O60885 2/20 0.42
ADORA2A P29274 1/20 0.42
YTHDC1 Q96MU7 1/20 0.42
QPCT Q16769 2/20 0.40
QPCTL Q9NXS2 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP19A1 P11511 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL11483813 0.85 CYP11B1 (0.43) CYP11B1ADRA2CCYP11B2BRD4ADORA2A
SCHEMBL3130833 0.83 ADORA2A (0.47) CYP11B1CYP11B2ADORA2ASMN1; SMN2TDP1
SCHEMBL15432549 0.76 CYP11B1 (0.40) CYP11B1ADRA2CCYP11B2ADORA2ASMN1; SMN2
SCHEMBL4055988 0.73 ADORA2A (0.41) CYP11B1CYP11B2ADORA2AQPCTMAPK14
SCHEMBL22639937 0.73 QPCT (0.50) ADRA2CADORA2AQPCTQPCTLMEN1
SCHEMBL4639433 0.71 SMN1; SMN2 (0.36) QPCTQPCTLSMN1; SMN2MEN1KMT2A
SCHEMBL14944585 0.71 CYP11B1 (0.40) CYP11B1CYP11B2BRD4LMNACYP19A1
SCHEMBL23405844 0.70 CYP11B1 (0.34) CYP11B1CYP11B2PKM
SCHEMBL28326060 0.69 CYP11B1 (0.69) CYP11B1CYP11B2BRD4SMN1; SMN2TDP1
SCHEMBL11484822 0.69 CYP11B1 (0.38) CYP11B1CYP11B2YTHDC1QPCTQPCTL

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-10822349-B2 Macrocyclic purines for the treatment of viral infections Janssen Sciences Ireland Unlimited Company (IE) 2020-11-03 US disclosed
US-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-10-31 US disclosed
US-10280180-B2 Macrocyclic purines for the treatment of viral infections JANSSEN SCIENCES IRELAND UC (IE) 2019-05-07 US disclosed
EP-2872515-B1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UC (IE) 2016-06-08 EP disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland Unlimited Company (IE) 2015-10-22 US disclosed
WO-2014009509-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN R&D IRELAND (IE) 2014-01-16 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 (4 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-20190330234-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS CYP11B1 2635/4885ADRA2C 3120/4885CYP11B2 2555/4885
US-10280180-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS CYP11B1 2635/4885ADRA2C 3120/4885CYP11B2 2555/4885
US-20150299221-A1 MACROCYCLIC PURINES FOR THE TREATMENT OF VIRAL INFECTIONS PNP, HPRT1, UMPS CYP11B1 2635/4885ADRA2C 3120/4885CYP11B2 2555/4885
US-10822349-B2 Macrocyclic purines for the treatment of viral infections PNP, HPRT1, UMPS CYP11B1 2635/4885ADRA2C 3120/4885CYP11B2 2555/4885

“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.