SCHEMBL17877666

SCHEMBL17877666

CC(=O)c1ccc2c(c1)CCN(c1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
NPC1 O15118 4/20 0.59
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
AOC3 Q16853 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
EED O75530 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B3 P37058 1/20 0.44
NTRK1 P04629 1/20 0.44
DDR1 Q08345 1/20 0.44
NTRK3 Q16288 1/20 0.44
NTRK2 Q16620 1/20 0.44

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
SCHEMBL17869203 0.88 ALDH1A1 (0.51) RAB9ANPC1AOC3EEDSMN1; SMN2
SCHEMBL17869278 0.85 NPC1 (0.58) RAB9ANPC1MAPTAOC3SMN1; SMN2
SCHEMBL28459399 0.84 RAB9A (0.79) RAB9ANPC1MAPTMAPK1PKM
SCHEMBL16634688 0.78 HDAC6 (0.53) RAB9ANPC1MAPTMAPK1SMN1; SMN2
SCHEMBL12039308 0.77 MAOA (0.52) RAB9ANPC1MAPTMAPK1PKM
SCHEMBL6451222 0.77 ESR2 (0.55) AOC3EEDMEN1KMT2A
SCHEMBL30109424 0.76 MEN1 (0.57) RAB9ANPC1MAPTMAPK1PKM
SCHEMBL16061897 0.76 MEN1 (0.57) RAB9ANPC1MAPTMAPK1PKM
SCHEMBL13928814 0.75 NPC1 (0.56) RAB9ANPC1MAPTHDAC6
SCHEMBL28457712 0.75 ALDH1A1 (0.61) RAB9ANPC1MAPTMAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902728-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors FORMA THERAPEUTICS, INC. (US) 2018-02-27 US disclosed
US-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH, INC. 2016-06-30 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-20160185785-A1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS USP7, UBA7, UBXN1 RAB9A 2409/4885NPC1 4268/4885MAPT 1391/4885

“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.