SCHEMBL17036742

SCHEMBL17036742

CC(C)Oc1nccc(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.37
ACACB O00763 1/20 0.36
MAP4K1 Q92918 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
MAPK14 Q16539 1/20 0.33
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPK8 P45983 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
EDNRB P24530 1/20 0.30

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
SCHEMBL15999342 0.80 RXRA (0.38) LRRK2ACACBMAP4K1MAPK14POLB
SCHEMBL12873555 0.78 MAP4K1 (0.39) LRRK2ACACBMAP4K1
SCHEMBL4268353 0.78 ACACB (0.39) LRRK2ACACBMAP4K1MAPK14PIK3CA
SCHEMBL12593659 0.78 EDNRB (0.46) LRRK2ACACBMAP4K1MAPK14POLB
SCHEMBL29370636 0.78 EDNRB (0.46) LRRK2ACACBMAP4K1MAPK14POLB
SCHEMBL16143061 0.77 ACACB (0.39) ACACBPOLBRAB9A
SCHEMBL418747 0.77
SCHEMBL14880201 0.76 SCN9A (0.46) LRRK2ACACBMAP4K1POLBCCNT1
SCHEMBL12701660 0.76 LRRK2 (0.37) LRRK2ACACBMAP4K1MAPK14POLB
SCHEMBL12701665 0.76 MAPK14 (0.40) LRRK2ACACBMAP4K1MAPK14POLB

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-110072861-A For treating the disubstituted pyrazole class compound of disease FGH生物科技公司 2019-07-30 CN disclosed
CN-107337659-A Compounds as protein kinase modulators 理森制药股份公司 2017-11-10 CN disclosed
CN-103702989-B Novel compounds as modulators of protein kinases 理森制药股份公司 2017-07-07 CN disclosed
US-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 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-20150239920-A1 Ether Compounds for Treatment of Complement Mediated Disorders TFPI, CFD, C9 LRRK2 1907/4885ACACB 3060/4885MAP4K1 1455/4885

“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.