SCHEMBL13304562

SCHEMBL13304562

CSc1nc(C)c(I)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.41
PKM P14618 1/20 0.41
ABCB1 P08183 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
LMNA P02545 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL1920514 0.84 PKM (0.35) HSP90AB1PKMSMN1; SMN2KDM4EPOLB
SCHEMBL1935371 0.84 KMT2A (0.36) HSP90AB1PKMSMN1; SMN2KDM4EPOLB
SCHEMBL30718870 0.84 HSP90AB1 (0.43) HSP90AB1PKMABCB1SMN1; SMN2KDM4E
SCHEMBL17119856 0.79 LMNA (0.33) HSP90AB1PKMLMNAL3MBTL1
SCHEMBL3029389 0.76 TLR8 (0.41) PKMKDM4EMAPTLMNAL3MBTL1
SCHEMBL1898608 0.76 MAPK1 (0.34) PKMSMN1; SMN2KDM4ELMNAL3MBTL1
SCHEMBL15147055 0.74 SMN1; SMN2 (0.33) PKMSMN1; SMN2MAPTLMNAL3MBTL1
SCHEMBL26977406 0.72 HSP90AB1 (0.41) HSP90AB1PKMABCB1
SCHEMBL7537282 0.71 HSP90AB1 (0.48) HSP90AB1PKMABCB1SMN1; SMN2KDM4E
SCHEMBL721780 0.70 KMT2A (0.36) HSP90AB1SMN1; SMN2KDM4EPOLBGAA

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-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 US disclosed
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS SOUTHERN RESEARCH INSTITUTE (US) 2014-08-28 US disclosed
US-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER EXELIXIS, INC (US) 2010-06-17 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 (2 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-20100150827-A1 PYRIDO [2, 3-D] PYRIMIDIN-7-ONE COMPOUNDS AS INHIBITORS OF P13K-ALPHA FOR THE TREATMENT OF CANCER PIK3CA, CDKN1A, PIK3CD HSP90AB1 3879/4885PKM 637/4885ABCB1 931/4885
US-20140242027-A1 SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS PNP, XDH, PNPO HSP90AB1 4678/4885PKM 874/4885ABCB1 666/4885

“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.