SCHEMBL7099840

SCHEMBL7099840

Nc1c(C(=O)O)cccc1-c1ccncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
NAPRT Q6XQN6 1/20 0.44
CYP46A1 Q9Y6A2 2/20 0.43
CAMKK2 Q96RR4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
THRB P10828 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM6B O15054 1/20 0.40

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
SCHEMBL7098623 0.88 IKBKB (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1
SCHEMBL30893425 0.84 HNF4A (0.53) CHRNB2CHRNB4CHRNA3CHRNA4NAPRT
SCHEMBL29525092 0.84 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4NAPRT
SCHEMBL7053092 0.84 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4NAPRT
Hydrochloric Acid SCHEMBL14840788 0.83 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1
SCHEMBL10819139 0.81 NAPRT (0.50) G6PDCASP7CASP6CHRNB2CHRNB4
SCHEMBL7099844 0.80 MMP2 (0.46) G6PDCASP7CASP6CHRNB2CHRNB4
SCHEMBL17046912 0.80 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CYP46A1
SCHEMBL15477778 0.80 G6PD (0.49) G6PDCASP7CASP6NAPRTHSD17B10
SCHEMBL28115051 0.78 IKBKB (0.54) G6PDCASP7CASP6NAPRTHSD17B10

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-9238628-B2 Phenyl amino pyrimidine compounds and uses thereof YM Biosicences Australia PTY LTD (US) 2016-01-19 US disclosed
US-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE LLC 2014-01-09 US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 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-20140011803-A1 PHENYL AMINO PYRIMIDINE COMPOUNDS AND USES THEREOF JAK2, JAK1, JAK3 G6PD 870/4885CASP7 3779/4885CASP6 3074/4885

“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.