SCHEMBL265809

SCHEMBL265809

Nc1ncc(-c2ccc(OCCN3CCCC3)cc2)c(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.55
HRH3 Q9Y5N1 5/20 0.55
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
ACHE P22303 2/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
BMPR1B O00238 1/20 0.47
PRKAB2 O43741 1/20 0.47
LCK P06239 1/20 0.47
YES1 P07947 1/20 0.47
THRB P10828 1/20 0.47
BMP4 P12644 1/20 0.47
SRC P12931 1/20 0.47
FLT1 P17948 1/20 0.47

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
SCHEMBL28586035 0.90 BMP4 (0.50) LTA4HADORA2AADORA1BMP4
SCHEMBL29557223 0.89 ACHE (0.57) LTA4HACHEADORA2AADORA1PRKAB2
SCHEMBL5998450 0.82 HRH3 (0.55) LTA4HHRH3PTGS1PTGS2PSMB1
SCHEMBL4472978 0.81 HRH3 (0.56) HRH3
SCHEMBL29157674 0.80 DHFR (0.57) ADORA2AADORA1
SCHEMBL263806 0.79 BRAF (0.55) LTA4HSRCKDR
SCHEMBL4080135 0.78 LTA4H (0.56) LTA4HHRH3PTGS1PTGS2PSMB1
SCHEMBL28762135 0.77 KMT2A (0.52)
SCHEMBL29671282 0.77 KMT2A (0.52)
SCHEMBL17907570 0.75 PRKCZ (0.46) LTA4H

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
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 LTA4H 3846/4885HRH3 1487/4885PTGS1 2858/4885

“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.