SCHEMBL20647142

SCHEMBL20647142

Cc1c(C(=O)C(C)(C)C)cnn1-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
PFKFB3 Q16875 1/20 0.47
NPBWR1 P48145 2/20 0.46
MCHR1 Q99705 2/20 0.46
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
CCR1 P32246 2/20 0.41
POLB P06746 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41

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
SCHEMBL23889103 0.87 MAPK1 (0.61) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL6319475 0.87 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL6313469 0.84 MAPT (0.63) MAPTRAB9ANPC1SMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6312220 0.80 SLC9A1 (0.65) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL20647185 0.80 KMT2A (0.54) MAPTRAB9ANPC1MAPK1ALDH1A1
SCHEMBL12895723 0.79 MAPK1 (0.69) MAPTRAB9ANPC1SMN1; SMN2NFKB1
Hydrochloric Acid SCHEMBL6312210 0.78 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL20646788 0.76 CCR1 (0.56) RAB9ANPC1MAPK1PKMCCR1
SCHEMBL31466500 0.75 PFKFB3 (0.50) MAPTRAB9ANPC1SMN1; SMN2PFKFB3
SCHEMBL31466442 0.75 NPBWR1 (0.49) MAPTPFKFB3NPBWR1MCHR1MAPK1

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
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 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 (4 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA MAPT 280/4885RAB9A 597/4885NPC1 3773/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MAPT 291/4885RAB9A 623/4885NPC1 3709/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA MAPT 291/4885RAB9A 623/4885NPC1 3709/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MAPT 280/4885RAB9A 597/4885NPC1 3773/4885

“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.