SCHEMBL3762000

SCHEMBL3762000

c1ccc(-c2ncc3cn[nH]c3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
FGFR1 P11362 1/20 0.44
DYRK3 O43781 1/20 0.44
CLK1 P49759 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
DYRK1A Q13627 1/20 0.44
CDK5R1 Q15078 1/20 0.44
DYRK2 Q92630 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL9982819 0.83 CLK1 (0.46) HPGDSNPC1FGFR1CLK1GSK3B
SCHEMBL6055038 0.81 DYRK1A (0.42) NPC1RAB9ASMN1; SMN2FGFR1CLK2
SCHEMBL3755550 0.80 IDO1 (0.47) NPC1RAB9ACYP1A2IDO1
SCHEMBL3757242 0.80 METAP2 (0.47) FGFR1DYRK3CLK1CLK2CLK3
SCHEMBL9983071 0.78 CDC7 (0.51) FGFR1DYRK1BMAPTHSP90AA1
SCHEMBL8742183 0.78 KMT2A (0.49) NPC1RAB9ACLK4MAPTKMT2A
SCHEMBL3755620 0.76 CLK4 (0.54) DYRK1ACLK4LMNAMAPTKMT2A
SCHEMBL30352947 0.76 CDK8 (0.54) HPGDSNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL16053221 0.75 ROCK2 (0.33) FGFR1DYRK3CLK2GSK3BCDK5
SCHEMBL27546283 0.74 NPC1 (0.49) HPGDSNPC1RAB9ASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149346-B1 Method for synthetic polymer tooth replacement CALDIERO KELLY WALTER LEE (US) 2015-10-06 US claimed
US-9149346-B1 Method for synthetic polymer tooth replacement CALDIERO KELLY WALTER LEE (US) 2015-10-06 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 HPGDS 949/4885NPC1 795/4885RAB9A 1142/4885
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS HPGDS 93/4885NPC1 4373/4885RAB9A 2990/4885

“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.