SCHEMBL15933265

SCHEMBL15933265

CC(=O)c1cnn(-c2cccc(Cl)c2)c1N

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.69
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
ATM Q13315 2/20 0.57
FGFR1 P11362 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR3 P22607 1/20 0.53
RIPK2 O43353 1/20 0.52
POLB P06746 1/20 0.52
MAPK14 Q16539 3/20 0.51
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3376392 0.87 HTT (0.67) HTTRAB9ANPC1ATMFGFR1
SCHEMBL2834342 0.87 RIPK2 (0.70) HTTRAB9ANPC1ATMFGFR1
SCHEMBL17365303 0.86 KMT2A (0.57) HTTRAB9ANPC1ATMRIPK2
SCHEMBL15930131 0.85 HTT (0.65) HTTRAB9ANPC1ATMFGFR1
SCHEMBL6345488 0.84 MAPK1 (0.70) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL24385178 0.83 RIPK2 (0.73) RAB9ANPC1RIPK2POLBMAPK14
SCHEMBL31117093 0.82 HTT (1.00) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL10340638 0.82 HTT (1.00) HTTRAB9ANPC1POLBSMN1; SMN2
SCHEMBL10191576 0.81 NPC1 (0.58) HTTRAB9ANPC1FGFR1FGFR2
SCHEMBL15933230 0.78 SCN9A (0.54) HTTFGFR1FGFR2FGFR3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 US disclosed
US-9902742-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 US disclosed
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-08 US disclosed
EP-2739628-B1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9611274-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-04 US disclosed
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-10 US disclosed
US-9221818-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-07 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 (5 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HTT 2579/4885RAB9A 2781/4885NPC1 2191/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 HTT 2206/4885RAB9A 3211/4885NPC1 1981/4885
US-20160068544-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HTT 2579/4885RAB9A 2781/4885NPC1 2191/4885
US-20140221338-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HTT 2579/4885RAB9A 2781/4885NPC1 2191/4885
US-20170158712-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HTT 2579/4885RAB9A 2781/4885NPC1 2191/4885

“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.