SCHEMBL16735350

SCHEMBL16735350

Nc1nccc2c(C(=O)O)cccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAPRT Q6XQN6 2/20 0.59
▸ KDM4E B2RXH2 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ KDM4A O75164 2/20 0.51
▸ EGLN1 Q9GZT9 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HIF1AN Q9NWT6 1/20 0.51
▸ PSMD14 O00487 1/20 0.49
▸ NR4A1 P22736 1/20 0.48
▸ NR4A2 P43354 1/20 0.48
▸ NR4A3 Q92570 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.44
▸ F12 P00748 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ NCF1 P14598 1/20 0.44
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ KDM6B O15054 1/20 0.44

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
Hydrochloric Acid SCHEMBL16872807 0.98 NAPRT (0.58) NAPRTKDM4EL3MBTL1KDM4AEGLN1
SCHEMBL11659159 0.80 KDM4E (0.58) NAPRTKDM4EL3MBTL1KDM4AEGLN1
SCHEMBL29406795 0.78 NR4A1 (0.73) NAPRTKDM4EL3MBTL1KDM4AEGLN1
SCHEMBL27985 0.78 NR4A1 (0.73) NAPRTKDM4EL3MBTL1KDM4AEGLN1
Hydrochloric Acid SCHEMBL7001794 0.77 LMNA (0.58) NAPRTKDM4EL3MBTL1KDM4AEGLN1
SCHEMBL3246365 0.77 RAF1 (0.41) NAPRTKDM4ERAB9APSMD14F12
Hydrochloric Acid SCHEMBL2457250 0.76 NR4A1 (0.70) NAPRTKDM4EL3MBTL1KDM4AEGLN1
SCHEMBL28400347 0.76 NR4A1 (0.70) NAPRTKDM4EL3MBTL1KDM4AEGLN1
Bromide SCHEMBL11318433 0.76 NR4A1 (0.70) NAPRTKDM4EL3MBTL1KDM4AEGLN1
SCHEMBL28397149 0.76 NR4A1 (0.70) NAPRTKDM4EL3MBTL1KDM4AEGLN1

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 NAPRT 1655/4885KDM4E 1369/4885L3MBTL1 1738/4885

“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.

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