SCHEMBL21974084

SCHEMBL21974084

Cc1nc2c(Cl)cccc2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.44
XPO1 O14980 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
PARP1 P09874 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
AR P10275 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
LMNA P02545 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CRHR1 P34998 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3650316 0.82 KMT2A (0.60) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL1906559 0.77 TSHR (0.44) NR4A2PARP1MEN1KMT2AALDH1A1
SCHEMBL27788693 0.76 CCR1 (0.59) NR4A2L3MBTL1CCR1CCR8ALDH1A1
SCHEMBL28286097 0.75 CYP2A6 (0.41) L3MBTL1CCR1CCR8MEN1KMT2A
SCHEMBL24597723 0.73 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4E
SCHEMBL29750489 0.73 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4E
SCHEMBL28323815 0.73 PARP1 (0.38) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL10700123 0.73 CCR1 (0.60) NR4A2L3MBTL1CCR1PARP1MAPT
SCHEMBL1467074 0.72 ALDH1A1 (0.59) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL2757274 0.72 METAP2 (0.59) NR4A2XPO1L3MBTL1CCR1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 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-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 NR4A2 4227/4885XPO1 491/4885L3MBTL1 2481/4885

“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.