SCHEMBL3720737

SCHEMBL3720737

Clc1nc(-c2ccccn2)nc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.59
TGFBR1 P36897 5/20 0.53
TGFBR2 P37173 3/20 0.53
PRKCI P41743 2/20 0.51
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.44
ALOX15 P16050 2/20 0.44
METAP2 P50579 1/20 0.43
SYK P43405 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL3724250 0.82 TGFBR1 (0.53) METAP1TGFBR1TGFBR2PRKCIKDM4E
SCHEMBL3799227 0.82 TGFBR1 (0.53) METAP1TGFBR1TGFBR2PRKCIKDM4E
SCHEMBL2414768 0.78 TGFBR1 (0.53) TGFBR1TGFBR2PRKCIMETAP2AXL
SCHEMBL2231632 0.78 ADORA1 (0.51) PRKCIL3MBTL1RAB9ASMN1; SMN2LMNA
SCHEMBL4473954 0.74 METAP1 (1.00) METAP1KDM4ETDP1L3MBTL1ALOX15
SCHEMBL3671378 0.74 TGFBR1 (0.55) TGFBR1TGFBR2PRKCIKDM4ETDP1
SCHEMBL7750000 0.73 PIK3CA (0.41) TGFBR1PRKCIKDM4ESMN1; SMN2HPGD
SCHEMBL20665660 0.72 KDM4E (0.63) METAP1KDM4ETDP1L3MBTL1ALOX15
SCHEMBL2154969 0.72 NUDT1 (0.52) PRKCIKDM4EL3MBTL1ALOX15NPC1
SCHEMBL29354466 0.70 KDM4E (1.00) METAP1KDM4ETDP1L3MBTL1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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 (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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 METAP1 1915/4885TGFBR1 128/4885TGFBR2 443/4885

“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.