SCHEMBL2693532

SCHEMBL2693532

Cc1ccc(F)c(-c2nc(C(=O)O)cs2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
ACHE P22303 1/20 0.52
KDM4E B2RXH2 1/20 0.47
PIM1 P11309 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
PTGER1 P34995 3/20 0.43
HPGDS O60760 1/20 0.43
LDHA P00338 1/20 0.42
PTPN1 P18031 2/20 0.42

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
SCHEMBL15609361 0.91 ALDH1A1 (0.61) ALDH1A1ACHEKDM4ENPC1POLB
SCHEMBL15608619 0.85 ACHE (0.51) ALDH1A1ACHEKDM4ERAB9APTGER1
SCHEMBL2692508 0.84 ACHE (0.50) ALDH1A1ACHEKDM4EPTGER1HPGDS
SCHEMBL2693577 0.84 ACHE (0.50) ALDH1A1ACHEKDM4ENPC1RAB9A
SCHEMBL9823942 0.84 ALDH1A1 (0.63) ALDH1A1ACHEKDM4ENPC1POLB
SCHEMBL15608600 0.82 ACHE (0.49) ALDH1A1ACHEKDM4EPIM1HPGDS
SCHEMBL11042587 0.82 ALDH1A1 (0.61) ALDH1A1ACHEKDM4ENPC1POLB
SCHEMBL11042509 0.82 ALDH1A1 (0.61) ALDH1A1ACHEKDM4ENPC1POLB
SCHEMBL15608851 0.82 ALDH1A1 (0.50) ALDH1A1ACHEKDM4EPIM1HPGDS
SCHEMBL2693403 0.80 ACHE (0.63) ALDH1A1ACHEKDM4EPTGER1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102924445-A PIM kinase inhibitor, preparation method thereof, and application thereof in pharmacy SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD 2013-02-13 CN claimed
US-8829193-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-09 US disclosed
EP-2596790-A1 Pim kinase inhibitors and methods of their use Novartis AG (CH) 2013-05-29 EP disclosed
CN-102924445-A PIM kinase inhibitor, preparation method thereof, and application thereof in pharmacy SHANGHAI JIKAI MEDICAL TECHNOLOGY CO LTD 2013-02-13 CN disclosed
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-09 US disclosed
US-8168794-B2 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100216839-A1 Pim kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-26 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 (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-20100216839-A1 Pim kinase inhibitors and methods of their use PIM1, PIM2, PIM3 ALDH1A1 1386/4885ACHE 4723/4885KDM4E 1409/4885
US-20120202851-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 ALDH1A1 1386/4885ACHE 4723/4885KDM4E 1409/4885

“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.