SCHEMBL4398433

SCHEMBL4398433

Nc1nc(-c2c[nH]c3ccccc23)c[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALDH1A1 P00352 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
KDM4E B2RXH2 3/20 0.62
RAB9A P51151 3/20 0.62
THRB P10828 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ALOX15 P16050 1/20 0.62
PPARG P37231 1/20 0.62
NCOA2 Q15596 1/20 0.62
PDGFRB P09619 5/20 0.60
CLK1 P49759 2/20 0.60
CDK5 Q00535 2/20 0.60
CDK5R1 Q15078 2/20 0.60
GSK3B P49841 1/20 0.60
DYRK1A Q13627 1/20 0.60
MAP3K14 Q99558 1/20 0.60
LMNA P02545 1/20 0.51

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
Nortopsentin D SCHEMBL29489921 0.81 PDGFRB (0.62) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13624863 0.79 PDGFRB (0.60) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25034150 0.78 TUBB4A (0.68) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4491315 0.77 NOS1 (0.46) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL1800635 0.77 MEN1 (1.00) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4400158 0.76 PDGFRB (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29488162 0.76 GSK3B (1.00) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL573402 0.76 GSK3B (1.00) CLK1CDK5CDK5R1GSK3BDYRK1A
SCHEMBL25034151 0.76 PDGFRB (1.00) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL25034156 0.75 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US claimed
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-07 US claimed
US-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US disclosed
US-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US disclosed
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-07 US disclosed
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-07 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-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE INMT, GNMT, HTR5A MAPT 4613/4885ALDH1A1 361/4885SMN1; SMN2 1985/4885

“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.