SCHEMBL6068367

SCHEMBL6068367

CCOC(=O)c1cc(N)n(Cc2cccc(F)c2F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
TYK2 P29597 2/20 0.42
JAK1 P23458 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 5/20 0.41
THRB P10828 1/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.38

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
SCHEMBL175092 0.91 TP53 (0.47) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL30223258 0.91 TP53 (0.47) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL18496413 0.88 TP53 (0.45) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL16796451 0.87 TP53 (0.44) TP53HPGDSMN1; SMN2KMT2ANPC1
SCHEMBL16796448 0.83 TP53 (0.45) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6223100 0.82 KMT2A (0.37) HPGDSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6068592 0.81 ALDH1A1 (0.61) HPGDSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL17089003 0.79 GUCY1B2 (0.55) HPGDALDH1A1KDM4EPOLB
SCHEMBL15964665 0.79 CYP1A2 (0.54) TP53SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL14998053 0.79 ALDH1A1 (0.55) TP53KMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135474-B2 Derivatives of 2-(1-benzyl-1H-pyrazolo(3,4-B)pyridine-3-yl)-5(-4-pyridinyl)l-4-pyrimidinamines and the use thereof as quanylate cyclase stimulators BAYER HEALTHCARE AG (DE) 2006-11-14 US disclosed
US-20050222170-A1 Derivatives of 2-(1-benzyl-1h-pyrazolo(3,4-b)pyridine-3-yl)- 5(-4-pyridiny)l-4- pyrimidinamines and the use thereof as quanylate cyclase stimulators BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 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-20050222170-A1 Derivatives of 2-(1-benzyl-1h-pyrazolo(3,4-b)pyridine-3-yl)- 5(-4-pyridiny)l-4- pyrimidinamines and the use thereof as quanylate cyclase stimulators PDE3B, PDE5A, PDE3A TP53 4127/4885HPGD 531/4885SMN1; SMN2 3213/4885

“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.