SCHEMBL768296

SCHEMBL768296

NCC(O)COc1cc(F)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
NR2E1 Q9Y466 1/20 0.48
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KCNH2 Q12809 1/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.39
PKM P14618 2/20 0.39
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL768295 1.00 ALOX15 (0.48) ALOX15NR2E1FFAR1FFAR4KCNH2
SCHEMBL768105 0.88 PKM (0.53) ALOX15NR2E1KCNH2KMT2ASMN1; SMN2
SCHEMBL768104 0.88 PKM (0.53) ALOX15NR2E1KCNH2KMT2ASMN1; SMN2
SCHEMBL773929 0.84 FFAR1 (0.46) FFAR1FFAR4KMT2ASMN1; SMN2MEN1
SCHEMBL768596 0.81 KMT2A (0.52) ALOX15NR2E1KCNH2KMT2ASMN1; SMN2
SCHEMBL768595 0.81 KMT2A (0.52) ALOX15NR2E1KCNH2KMT2ASMN1; SMN2
SCHEMBL773187 0.81 ALOX15 (0.68) ALOX15NR2E1FFAR1FFAR4KMT2A
SCHEMBL14300877 0.81 FFAR1 (0.46) FFAR1FFAR4KMT2ASMN1; SMN2MEN1
SCHEMBL768677 0.81 ALOX15 (0.43) ALOX15NR2E1KCNH2KMT2ASMN1; SMN2
SCHEMBL768676 0.81 ALOX15 (0.43) ALOX15NR2E1KCNH2KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066673-B1 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE CORP (US) 2016-12-28 EP disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 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 (3 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALOX15 1055/4885NR2E1 1975/4885FFAR1 2644/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP ALOX15 1055/4885NR2E1 1975/4885FFAR1 2644/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP ALOX15 1055/4885NR2E1 1975/4885FFAR1 2644/4885

“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.