SCHEMBL3174589

SCHEMBL3174589

Cc1ccc(-n2nc(C3(CF)CC3)cc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.43
STAT1 P42224 1/20 0.43
MAPK1 P28482 1/20 0.39
NPY5R Q15761 4/20 0.37
POLB P06746 2/20 0.36
NFKB1 P19838 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
SCHEMBL3170566 0.80 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL4640117 0.78 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL1012611 0.78 NPC1 (0.49) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL4471861 0.76 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL2557713 0.76 NPC1 (0.50) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL12282539 0.74 NPC1 (0.48) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL16866570 0.73 RAB9A (0.50) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL15485199 0.73 NPC1 (0.50) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL2571479 0.72 RAB9A (0.49) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL28506730 0.70 NPC1 (0.47) RAB9ASMN1; SMN2NPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943243-B1 KINASE INHIBITORS LILLY CO ELI (US) 2010-12-29 EP disclosed
US-7652015-B2 Suppression cytokines , tumor necrosis factor ELI LILLY AND COMPANY (US) 2010-01-26 US disclosed
US-7582638-B2 Pyrazole-isoquinoline urea derivatives as p38 kinase inhibitors ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis ELI LILLY AND COMPANY 2008-11-06 US disclosed
US-20080269244-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-10-30 US disclosed
CN-101296922-A Kinase inhibitors LILLY CO ELI (US) 2008-10-29 CN disclosed
EP-1943243-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-07-16 EP disclosed
WO-2007053394-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 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 (2 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-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis CNKSR1, CHUK, SLC14A1 RAB9A 698/4885SMN1; SMN2 4317/4885NPC1 1134/4885
US-20080269244-A1 Kinase Inhibitors MAP3K1, MAP3K20, MAP3K19 RAB9A 1018/4885SMN1; SMN2 3849/4885NPC1 1922/4885

“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.