SCHEMBL968252

SCHEMBL968252

Brc1ccc(Nc2cccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
FPR2 P25090 3/20 0.50
KIF11 P52732 1/20 0.49
PKM P14618 2/20 0.48
CYP17A1 P05093 1/20 0.48
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
RAD52 P43351 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45

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
SCHEMBL30396058 1.00 CYP11B1 (0.56) CYP11B1CYP11B2KMT2AMEN1MAPT
SCHEMBL1368828 0.85 KIF11 (0.60) KMT2AMAPTLMNAKIF11PKM
SCHEMBL29793056 0.85 KIF11 (0.60) KMT2AMAPTLMNAKIF11PKM
SCHEMBL29845262 0.83 KMT2A (0.61) KMT2AMEN1MAPTKIF11PKM
SCHEMBL4591751 0.83 KMT2A (0.61) KMT2AMEN1MAPTKIF11PKM
SCHEMBL3938486 0.82 KIF11 (0.51) CYP11B1CYP11B2KMT2AMEN1KIF11
SCHEMBL20194707 0.81 KIF11 (0.53) KMT2AMEN1MAPTSMN1; SMN2KIF11
SCHEMBL11875326 0.80 MAPT (0.55) KMT2AMEN1MAPTLMNAKIF11
SCHEMBL4813904 0.80 RAD52 (0.61) KMT2AMAPTKIF11CYP17A1ADRA2A
SCHEMBL6431980 0.80 RAB9A (0.62) KMT2AMAPTLMNASMN1; SMN2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY CYP11B1 135/4885CYP11B2 161/4885KMT2A 2194/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY CYP11B1 135/4885CYP11B2 161/4885KMT2A 2194/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 CYP11B1 886/4885CYP11B2 1407/4885KMT2A 2133/4885

“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.