SCHEMBL15520763

SCHEMBL15520763

Nc1cnn(Cc2ccc(F)nc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.67
▸ LMNA P02545 1/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP11B1 P15538 1/20 0.45
▸ CYP11B2 P19099 1/20 0.45
▸ GRIN1 Q05586 7/20 0.38
▸ GRIN2B Q13224 7/20 0.38
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL3611556 0.81 MAPT (0.97) MAPTLMNAL3MBTL1ALDH1A1PKM
Hydrochloric Acid SCHEMBL21492539 0.81 MAPT (0.48) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL21054803 0.81 HSD17B10 (0.55) MAPTLMNAALDH1A1PKMKMT2A
Hydrochloric Acid SCHEMBL4500305 0.80 MAPT (1.00) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL15520232 0.79 HSD17B10 (0.54) MAPTLMNAL3MBTL1ALDH1A1CYP11B1
SCHEMBL1416056 0.77 MAPT (0.67) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL712713 0.76 MAPT (0.70) MAPTLMNAL3MBTL1ALDH1A1PKM
Hydrochloric Acid SCHEMBL28524388 0.76 TAS2R8 (0.44) MAPTLMNAALDH1A1CYP11B1CYP11B2
SCHEMBL15520076 0.75 MAPT (0.63) MAPTLMNAL3MBTL1ALDH1A1PKM
SCHEMBL25263910 0.75 MAPT (0.51) MAPTLMNAL3MBTL1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS R&D LTD (GB) 2020-11-19 — — US disclosed
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD. (GB) 2020-06-30 — — US disclosed
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2018-08-30 — — US disclosed
US-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD. (GB) 2017-10-19 — — US disclosed
US-9604975-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2017-03-28 — — US disclosed
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity VERNALIS (R&D) LTD (GB) 2015-04-09 — — US disclosed
US-8916591-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity VERNALIS (R&D) LTD (GB) 2014-12-23 — — US disclosed
EP-2294065-B1 INDOLYL-PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY VERNALIS R&D LTD (GB) 2014-03-19 — — 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 (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-20170298043-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 MAPT 4198/4885LMNA 1114/4885L3MBTL1 806/4885
US-20200361905-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B MAPT 2482/4885LMNA 2426/4885L3MBTL1 1632/4885
US-20150099736-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK1, CHEK2, RAD1 MAPT 4198/4885LMNA 1114/4885L3MBTL1 806/4885
US-10696652-B2 Indolyl-pyridone derivatives having checkpoint kinase 1 inhibitory activity CHEK2, CHEK1, BUB1B MAPT 2482/4885LMNA 2426/4885L3MBTL1 1632/4885
US-20180244652-A1 Indolyl-Pyridone Derivatives Having Checkpoint Kinase 1 Inhibitory Activity CHEK2, CHEK1, BUB1B MAPT 2482/4885LMNA 2426/4885L3MBTL1 1632/4885

“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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