SCHEMBL378894

SCHEMBL378894

Cc1ccc(Oc2ccc(F)cc2C#N)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 11/20 0.46
▸ HSPB1 P04792 2/20 0.46
▸ AR P10275 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ EPAS1 Q99814 1/20 0.41

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
SCHEMBL2446602 0.90 MAPT (0.50) SLC22A12HSPB1ARALDH1A1LMNA
SCHEMBL11779619 0.81 HSPB1 (0.68) SLC22A12HSPB1ARALDH1A1
SCHEMBL2445073 0.79 PIN1 (0.47) SLC22A12HSPB1
SCHEMBL8867069 0.79 HSPB1 (0.57) HSPB1ALDH1A1LMNAHPGDHTT
SCHEMBL12216024 0.78 AR (0.50) SLC22A12AR
SCHEMBL11100867 0.78 AR (0.53) SLC22A12AR
SCHEMBL17407526 0.78 AR (0.50) SLC22A12AREPAS1
SCHEMBL4065173 0.77 HSPB1 (0.55) HSPB1ALDH1A1LMNAHPGDHTT
SCHEMBL11089663 0.77 SLC22A12 (0.40) SLC22A12HSPB1ARLMNAHTT
SCHEMBL16792430 0.76 MAPT (0.53) ARALDH1A1LMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981851-B1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2012-01-25 — — EP disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 — — US disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 — — US disclosed
US-8044083-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-25 — — US disclosed
US-8039639-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-18 — — US disclosed
US-8039639-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-18 — — US disclosed
US-8039639-B2 Kinase inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2011-10-18 — — US disclosed
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-05-26 — — US disclosed
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-05-26 — — US disclosed
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-05-26 — — US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 — — US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 — — US disclosed
US-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof ARRAY BIOPHARMA, INC. 2009-01-22 — — US disclosed
EP-1981851-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-10-22 — — EP disclosed
WO-2007089646-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-08-09 — — 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-20090023795-A1 Kinase Inhibitors And Methods Of Use Thereof MAP3K1, MAP3K19, MAP3K20 SLC22A12 2930/4885HSPB1 2698/4885AR 3132/4885
US-20110124878-A1 KINASE INHIBITORS AND METHODS OF USE THEREOF MAP3K19, MAP3K2, MAP3K20 SLC22A12 2466/4885HSPB1 3923/4885AR 2369/4885

“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.

Send feedback