SCHEMBL1711384

SCHEMBL1711384

Cc1ccc(F)c(-c2cc(F)cc(F)c2F)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S100A4 P26447 1/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ TGFBR1 P36897 3/20 0.36
▸ MAPK14 Q16539 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ CCR1 P32246 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ CES2 O00748 1/20 0.30
▸ CES1 P23141 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL1712177 0.73 PIM1 (0.44) PIM1PIM3PIM2CES2CES1
SCHEMBL2666247 0.72 FFAR1 (0.40) FFAR1TGFBR1RAB9A
SCHEMBL19240430 0.72 S1PR4 (0.34) —
SCHEMBL27997101 0.71 TGFBR1 (0.40) FFAR1TGFBR1RAB9AADORA1
SCHEMBL24404852 0.69 S100A4 (0.43) S100A4TGFBR1CCR1RAB9ACCR5
SCHEMBL21083452 0.68 MAPT (0.45) S100A4TGFBR1
SCHEMBL6088636 0.67 CCR1 (0.52) CCR1RAB9ACCR5
SCHEMBL318842 0.66 CCR1 (0.38) S100A4TGFBR1MAPK14CCR1RAB9A
SCHEMBL13761288 0.66 PTGS2 (0.44) MAPK14
SCHEMBL13301403 0.64 MEN1 (0.39) CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 — — US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 — — US disclosed
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2015-11-05 — — US disclosed
EP-2344474-B1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 — — EP disclosed
EP-2344474-B1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 — — EP disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 — — US disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 — — US disclosed
US-9079889-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2015-07-14 — — US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 — — US disclosed
US-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-03-20 — — US disclosed
US-8329732-B2 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-12-11 — — US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 — — US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 — — US disclosed
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE BURGER MATTHEW T (US) 2012-05-31 — — US disclosed
EP-2344474-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS Novartis AG (CH) 2011-07-20 — — EP disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 — — WO disclosed
WO-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 — — WO disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 — — US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 — — US disclosed
US-20100056576-A1 Kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-03-04 — — 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 (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-20140079693-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 S100A4 4212/4885FFAR1 4124/4885TGFBR1 3091/4885
US-20120134987-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 S100A4 4212/4885FFAR1 4124/4885TGFBR1 3091/4885
US-20100056576-A1 Kinase inhibitors and methods of their use PIM1, PIM2, PIM3 S100A4 4212/4885FFAR1 4124/4885TGFBR1 3091/4885
US-20150315150-A1 KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 S100A4 4212/4885FFAR1 4124/4885TGFBR1 3091/4885

“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.

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