SCHEMBL2095046

SCHEMBL2095046

O=C(Nc1ccc(-n2c(C(F)(F)F)nc3ccccc32)cc1)c1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
JAK2 O60674 2/20 0.48
P2RX7 Q99572 1/20 0.45
RORC P51449 1/20 0.45
SMO Q99835 2/20 0.44
MAOB P27338 1/20 0.43
CYP2C9 P11712 1/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.41
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL27717097 0.93 RORC (0.50) RAB9ANPC1MEN1KMT2AJAK2
SCHEMBL10187708 0.91 SMO (0.43) RAB9ANPC1MEN1KMT2AJAK2
SCHEMBL27717099 0.85 MEN1 (0.53) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL10187707 0.84 MEN1 (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL15000749 0.81 RAB9A (0.44) RAB9ANPC1MEN1KMT2AJAK2
SCHEMBL10239326 0.80 SMO (0.46) RAB9ANPC1JAK2RORCSMO
SCHEMBL2091612 0.80 STIM1 (0.55) RAB9ANPC1MEN1KMT2ACYP2C9
SCHEMBL2096523 0.80 NPC1 (0.50) RAB9ANPC1CYP2C9MAPTMAPK1
SCHEMBL2093588 0.80 LMNA (0.43) RAB9ANPC1MEN1KMT2ACYP2C9
SCHEMBL2091863 0.79 MAPT (0.47) RAB9ANPC1MEN1KMT2AJAK2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314134-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US claimed
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-12-09 US claimed
US-7709518-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2010-05-04 US claimed
EP-1809294-A4 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2008-08-06 EP claimed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US claimed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP claimed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 WO claimed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-8524756-B2 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-09-03 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-06 US disclosed
US-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-11-01 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
US-20070249661-A1 Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2007-10-25 US disclosed
WO-2007112093-A2 BENZIMIDAZOLYL-PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-10-04 WO disclosed
EP-1809294-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2007-07-25 EP disclosed
WO-2006034402-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICAL CORP. (US) 2006-03-30 WO 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 (4 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-20070254912-A1 Benzimidazolyl-pyridine compounds for inflammation and immune-related uses NLRP3, CXCR1, CXCR2 RAB9A 642/4885NPC1 1500/4885MEN1 3217/4885
US-20100311787-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885NPC1 142/4885MEN1 3865/4885
US-20070249661-A1 Compounds for inflammation and immune-related uses CXCR2, CXCL8, CCR9 RAB9A 1725/4885NPC1 142/4885MEN1 3865/4885
US-20130142831-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 RAB9A 1725/4885NPC1 142/4885MEN1 3865/4885

“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.