SCHEMBL17961796

SCHEMBL17961796

c1ccc(N[C@@H]2CCNC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.50
▸ PRKCI P41743 4/20 0.49
▸ MAPK1 P28482 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.45
▸ NRAS P01111 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ IRAK1 P51617 1/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ PRKD1 Q15139 2/20 0.44
▸ PRKD2 Q9BZL6 2/20 0.44
▸ HRH4 Q9H3N8 3/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ HRH2 P25021 1/20 0.44
▸ RPS6KB1 P23443 1/20 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
SCHEMBL6216854 1.00 IRAK4 (0.50) IRAK4PRKCIMAPK1HRH3NRAS
SCHEMBL25422820 1.00 IRAK4 (0.50) IRAK4PRKCIMAPK1HRH3NRAS
SCHEMBL30632323 1.00 IRAK4 (0.50) IRAK4PRKCIMAPK1HRH3NRAS
SCHEMBL13326544 1.00 IRAK4 (0.50) IRAK4PRKCIMAPK1HRH3NRAS
Hydrochloric Acid SCHEMBL4056190 0.98 IRAK4 (0.49) IRAK4PRKCIMAPK1HRH3NRAS
Hydrochloric Acid SCHEMBL4056189 0.98 IRAK4 (0.49) IRAK4PRKCIMAPK1HRH3NRAS
SCHEMBL4705576 0.90 IRAK4 (0.52) IRAK4FLT3IRAK1PRKD2RPS6KB1
SCHEMBL1088572 0.90 HRH3 (0.55) IRAK4MAPK1HRH3NOS2
SCHEMBL2351225 0.89 IRAK4 (0.48) IRAK4PRKCIFLT3IRAK1PRKD1
Hydrochloric Acid SCHEMBL1307469 0.88 HRH3 (0.54) IRAK4MAPK1HRH3NOS2

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
EP-3030557-B1 A NOVEL PHTALAZINONE DERIVATIVES AND MANUFACTURING PROCESS THEREOF IDIENCE CO LTD (KR) 2023-05-31 — — EP disclosed
US-RE49338-E1 Phthalazinone derivatives and manufacturing process thereof IDIENCE CO., LTD. (KR) 2022-12-20 — — US disclosed
US-9844550-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-12-19 — — US disclosed
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2017-06-29 — — US disclosed
US-9682973-B2 Phtalazinone derivatives and manufacturing process thereof ILDONG PHARM CO., LTD (KR) 2017-06-20 — — US disclosed
US-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof IL DONG HOLDINGS CO., LTD (KR) 2016-08-04 — — 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 (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-20160222003-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof PARP15, PARP10, PARP1 IRAK4 2203/4885PRKCI 2507/4885MAPK1 3527/4885
US-20170182045-A1 Novel Phtalazinone Derivatives and Manufacturing Process Thereof PARP15, PARP10, NUDT5 IRAK4 2566/4885PRKCI 2456/4885MAPK1 3394/4885

“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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