SCHEMBL2967288

SCHEMBL2967288

Brc1ccc2nc(Oc3ccccc3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
ESR1 P03372 2/20 0.48
ALDH1A1 P00352 1/20 0.46
CHEK2 O96017 3/20 0.45
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
MMP13 P45452 2/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
AURKA O14965 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 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
SCHEMBL569767 0.81 RAB9A (0.57) TP53MAPTALDH1A1LMNARAB9A
SCHEMBL6359968 0.80 LTA4H (0.56) TP53MAPTALDH1A1LMNARAB9A
SCHEMBL29795482 0.80 LTA4H (0.56) TP53MAPTALDH1A1LMNARAB9A
SCHEMBL23123101 0.77 ALDH1A1 (0.56) TP53MAPTESR1ALDH1A1MMP2
SCHEMBL29744927 0.77 ALDH1A1 (0.56) TP53MAPTESR1ALDH1A1MMP2
SCHEMBL24074337 0.74 FABP6 (0.44) MAPTCHEK2MMP2
SCHEMBL2959390 0.73 KDM4C (0.39) ALDH1A1CHEK2RAB9AKDM4C
SCHEMBL17491662 0.73 MAPK1 (0.49) TP53MAPTESR1ALDH1A1LMNA
SCHEMBL2967967 0.73 PTGES (0.41) MAPTALDH1A1LMNAKDM4C
SCHEMBL15288339 0.72 MMP13 (0.71) TP53MAPTESR1ALDH1A1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 EP disclosed
EP-1973917-B1 PROTEIN KINASE INHIBITORS ABBVIE INC (US) 2015-06-10 EP disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
US-7772231-B2 Substituted pyrazolo[3,4-d]pyrimidines as protein kinase inhibitors ABBOTT LABORATORIES (US) 2010-08-10 US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US disclosed
US-20070203143-A1 PROTEIN KINASE INHIBITORS ABBVIE INC. 2007-08-30 US disclosed
WO-2007079164-A2 PROTEIN KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-12 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 (1 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-20070203143-A1 PROTEIN KINASE INHIBITORS PACSIN2, MAP3K20, PHKG1 TP53 526/4885MAPT 1359/4885ESR1 2643/4885

“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.