SCHEMBL17818822

SCHEMBL17818822

Cc1c(C(=O)O)c2c(Cl)ccnc2n1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.39
▸ PIM1 P11309 5/20 0.36
▸ NTRK1 P04629 4/20 0.36
▸ ACVR1 Q04771 3/20 0.36
▸ DHODH Q02127 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMO O15229 3/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ DAPK3 O43293 1/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ CDK1 P06493 1/20 0.33

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
SCHEMBL28560116 0.72 LIMK1 (0.43) PIM1NTRK1ACVR1CDK8
SCHEMBL30080112 0.68 UBE2N (0.35) PTGDR2PIM1PIM3PIM2PIK3CD
SCHEMBL21816259 0.67 DPP4 (0.45) LMNAKMO
SCHEMBL22554085 0.65 KDM4C (0.40) PTGDR2DHODHLMNAPOLB
SCHEMBL11819966 0.63 NAPRT (0.46) LMNAKMOKDR
SCHEMBL31440096 0.63 POLB (0.36) PTGDR2CDK2CDK9POLB
SCHEMBL17818705 0.63 KDM4E (0.34) PTGDR2PIM1NTRK1ACVR1LMNA
SCHEMBL11479173 0.63 DPP4 (0.46) PIM1ACVR1DHODHLMNAKMO
SCHEMBL28549707 0.63 PARP1 (0.44) PTGDR2
SCHEMBL392396 0.63 SMN1; SMN2 (0.48) LMNAKMO

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-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 — — US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 — — US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 — — US disclosed
EP-3233841-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-10-25 — — EP disclosed
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 — — WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 — — 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 (4 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 PTGDR2 572/4885PIM1 3591/4885NTRK1 511/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 PTGDR2 721/4885PIM1 3334/4885NTRK1 493/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 PTGDR2 572/4885PIM1 3591/4885NTRK1 511/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 PTGDR2 721/4885PIM1 3334/4885NTRK1 493/4885

“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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