SCHEMBL1483541

SCHEMBL1483541

NC(=O)Cc1cncc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK9 P45984 1/20 0.41
MTNR1A P48039 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ROS1 P08922 1/20 0.40
RPS6KB1 P23443 1/20 0.40
PRKCZ Q05513 1/20 0.40
FEN1 P39748 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PLA2G10 O15496 1/20 0.38
SIRT2 Q8IXJ6 3/20 0.38
SIRT1 Q96EB6 3/20 0.38
SIRT3 Q9NTG7 3/20 0.38
ACHE P22303 1/20 0.38
HTT P42858 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL5512378 0.86 CYP11B1 (0.46) CYP11B1CYP11B2ADORA2AADORA1TDP1
SCHEMBL3711732 0.84 TDP1 (0.62) CYP11B1CYP11B2ADORA2AADORA1TDP1
SCHEMBL30431204 0.84 TDP1 (0.62) CYP11B1CYP11B2ADORA2AADORA1TDP1
Hydrochloric Acid SCHEMBL4810594 0.83 TDP1 (0.61) CYP11B1CYP11B2ADORA2AADORA1TDP1
SCHEMBL3785081 0.80 ROS1 (0.56) MAPK9ALDH1A1ROS1RPS6KB1
SCHEMBL66670 0.78 TDP1 (0.69) TDP1MTNR1AHTTMEN1KMT2A
SCHEMBL2258454 0.77 CYP11B1 (0.49) CYP11B1CYP11B2ADORA2AADORA1TDP1
SCHEMBL28754118 0.77 TDP1 (0.67) TDP1MTNR1AALDH1A1HTTMEN1
SCHEMBL27634399 0.77 TDP1 (0.67) TDP1MTNR1AALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL7517236 0.77 TDP1 (0.67) TDP1MTNR1AALDH1A1HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2022-03-17 US disclosed
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2020-09-03 US disclosed
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-11-08 US disclosed
US-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE IMAGO PHARMACEUTICALS, INC. (US) 2018-02-08 US disclosed
US-8431556-B2 C-21-keto lupane derivatives preparation and use thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-30 US disclosed
US-20110077228-A1 NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF MOINET CHRISTOPHE 2011-03-31 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 (5 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-20180037577-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B1 2584/4885CYP11B2 2941/4885ADORA2A 2889/4885
US-20220081427-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B1 2584/4885CYP11B2 2941/4885ADORA2A 2889/4885
US-20200277285-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B1 2584/4885CYP11B2 2941/4885ADORA2A 2889/4885
US-20180319780-A1 INHIBITORS OF JUN N-TERMINAL KINASE CHUK, MAPK6, MAPK3 CYP11B1 2584/4885CYP11B2 2941/4885ADORA2A 2889/4885
US-20110077228-A1 NOVEL C-21-KETO LUPANE DERIVATIVES PREPARATION AND USE THEREOF CYP51A1, CYP17A1, HSD17B7 CYP11B1 6/4885CYP11B2 20/4885ADORA2A 4678/4885

“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.