SCHEMBL16429520

SCHEMBL16429520

Brc1cc[c]c(N2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
HPGD P15428 2/20 0.40
CCR5 P51681 1/20 0.39
LMNA P02545 3/20 0.37
PRKDC P78527 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MGLL Q99685 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HTT P42858 3/20 0.35
MAPK1 P28482 2/20 0.35
AHR P35869 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
POLB P06746 1/20 0.35
AKR1C3 P42330 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35

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
SCHEMBL20562664 0.83 TDP1 (0.37) MAPTRAB9ANPC1HPGDLMNA
SCHEMBL16964337 0.79 MAPT (0.49) MAPTRAB9ANPC1HPGDLMNA
SCHEMBL3904650 0.79 RAB9A (0.41) MAPTRAB9ANPC1LMNAPRKDC
SCHEMBL9181673 0.79 ALDH1A1 (0.41) MAPTHPGDLMNAPRKDCSMN1; SMN2
SCHEMBL2315135 0.79 MAPT (0.41) MAPTRAB9ANPC1LMNAPRKDC
SCHEMBL23702335 0.79 AR (0.41) MAPTRAB9ANPC1HPGDLMNA
SCHEMBL17376437 0.77 PIK3CA (0.37) PRKDCRXFP1
SCHEMBL25292038 0.75 PRKDC (0.41) MAPTRAB9ANPC1HPGDLMNA
SCHEMBL15391006 0.75 PRKDC (0.44) MAPTRAB9ANPC1HPGDPRKDC
SCHEMBL23702338 0.75 AR (0.42) MAPTHPGDLMNAPRKDCSMN1; SMN2

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
CN-104350055-B Bicyclic heteroaryl derivatives and application thereof as MNK1 and MNK2 regulator 新加坡科技研究局 2019-05-31 CN disclosed
US-10280168-B2 Bicyclic heteroaryl derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-05-07 US disclosed
CN-104350055-A Bicyclic heterocyclic derivatives as MNK1 and MNK2 modulators and uses thereof AGENCY SCIENCE TECH & RES (SG) 2015-02-11 CN disclosed
US-20150038506-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-02-05 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-10280168-B2 Bicyclic heteroaryl derivatives as MNK1 and MNK2 modulators and uses thereof MAPKAPK2, NEK2, MKNK2 MAPT 674/4885RAB9A 1936/4885NPC1 2469/4885
US-20150038506-A1 BICYCLIC HETEROARYL DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, NEK2, MKNK2 MAPT 680/4885RAB9A 1906/4885NPC1 2480/4885

“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.