SCHEMBL16735267

SCHEMBL16735267

CC(C)(C)Nc1nccc2c(C(=O)O)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 3/20 0.55
▸ PSMD14 O00487 1/20 0.46
▸ RAB9A P51151 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.44
▸ HIF1AN Q9NWT6 1/20 0.44
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ DHODH Q02127 4/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ LMNA P02545 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ PKM P14618 2/20 0.39
▸ HTT P42858 2/20 0.39

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
SCHEMBL16735237 0.86 PSMD14 (0.52) RAF1PSMD14KDM4ELMNATDP1
SCHEMBL15635803 0.80 DHODH (0.58) RAB9AL3MBTL1KDM4EDHODHHDAC6
SCHEMBL11659159 0.73 KDM4E (0.58) PSMD14RAB9AL3MBTL1KDM4EKDM4A
SCHEMBL16735350 0.71 NAPRT (0.59) RAF1PSMD14RAB9AL3MBTL1KDM4E
SCHEMBL29406795 0.71 NR4A1 (0.73) RAB9AL3MBTL1KDM4EKDM4AEGLN1
SCHEMBL27985 0.71 NR4A1 (0.73) RAB9AL3MBTL1KDM4EKDM4AEGLN1
SCHEMBL16735362 0.71 GAA (0.56) RAB9AL3MBTL1KDM4EDHODHCYP1A2
Hydrochloric Acid SCHEMBL7001794 0.70 LMNA (0.58) PSMD14RAB9AL3MBTL1KDM4EKDM4A
Hydrochloric Acid SCHEMBL16872807 0.70 NAPRT (0.58) RAF1PSMD14RAB9AL3MBTL1KDM4E
SCHEMBL16829204 0.70 ALDH1A1 (0.60) RAB9AL3MBTL1KDM4EDHODHLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388165-B2 Isoquinoline-5-carboxamide derivative having inhibitory activity for protein kinase HANMI PHARM. CO., LTD. (KR) 2016-07-12 — — US disclosed
US-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE HANMI PHARM. CO., LTD. (KR) 2015-07-09 — — US disclosed
EP-2876107-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE Hanmi Pharm. Co., Ltd. (KR) 2015-05-27 — — EP 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-20150191450-A1 ISOQUINOLINE-5-CARBOXAMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASE CSNK1A1, MAP3K5, MAP4K2 RAF1 96/4885PSMD14 2783/4885RAB9A 1730/4885

“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