SCHEMBL11906960

SCHEMBL11906960

Cc1cccc(C)c1-c1ccc(N)c(C(=O)O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 2/20 0.49
MYC P01106 1/20 0.41
GRM5 P41594 1/20 0.40
PRKDC P78527 1/20 0.37
ATR Q13535 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 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
SCHEMBL11909693 0.84 MAP2K3 (0.50) MAP2K3MYCPRKDCATRALDH1A1
SCHEMBL318994 0.82 PIM2 (0.48) MAP2K3
SCHEMBL11908134 0.82 CCR1 (0.52) MAP2K3GRM5IRAK4
SCHEMBL11907722 0.79 MAP2K3 (0.51) MAP2K3GRM5ALDH1A1KDM4EMAPT
SCHEMBL11908374 0.77 MAP2K3 (0.77) MAP2K3PRKDCATRALDH1A1KDM4E
SCHEMBL11907307 0.76 MAP2K3 (0.45) MAP2K3GRM5ATRALDH1A1KDM4E
SCHEMBL11907148 0.75 MAP2K3 (0.47) MAP2K3GRM5ALDH1A1KDM4EMAPT
SCHEMBL11906891 0.75 MAP2K3 (0.47) MAP2K3GRM5ATRALDH1A1KDM4E
SCHEMBL11907840 0.75 BTK (0.44) MAP2K3DHODH
SCHEMBL11907166 0.75 GRM2 (0.42) MAP2K3PRKDCATRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP2K3 197/4885MYC 53/4885GRM5 4025/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 MAP2K3 197/4885MYC 53/4885GRM5 4025/4885

“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.