SCHEMBL18057400

SCHEMBL18057400

CC(C)(O)c1cc2ccc(N3CCC[C@H](N)C3)nc2n2c1nc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 8/20 0.38
▸ PIM2 Q9P1W9 6/20 0.38
▸ PIM3 Q86V86 3/20 0.38
▸ PIK3CB P42338 1/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ DPP4 P27487 3/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34

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
SCHEMBL18057404 0.94 PDE10A (0.39) PIM1PIM2PIM3DPP4HRH4
SCHEMBL19365030 0.90 SMN1; SMN2 (0.41) MAP4K4PDE10A
SCHEMBL23160988 0.87 DPP4 (0.38) MAP4K4PIM1PIM2PIM3PIK3CB
SCHEMBL20078427 0.85 CAMK1D (0.43) PIK3CB
SCHEMBL18057407 0.83 PDE10A (0.42) MAP4K4HRH4PDE10A
SCHEMBL19992223 0.82 PIM1 (0.32) PIM1PIM2
SCHEMBL17255017 0.82 HRH4 (0.44) HRH4PDE10A
SCHEMBL23160982 0.81 DPP4 (0.41) PIM1PIM2PIM3DPP4HRH4
SCHEMBL18057396 0.81 HTR3A (0.48) HRH4
SCHEMBL18057398 0.81 PDE10A (0.37) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2020-11-19 — — US disclosed
US-10745403-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-08-18 — — US disclosed
US-10442801-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2019-10-15 — — US disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9758518-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2017-09-12 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-9512123-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2016-12-06 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — US disclosed
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2016-09-08 — — 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 (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-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 MAP4K4 1881/4885PIM1 2987/4885PIM2 3463/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 MAP4K4 1976/4885PIM1 3033/4885PIM2 3662/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 MAP4K4 1881/4885PIM1 2987/4885PIM2 3463/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 MAP4K4 1881/4885PIM1 2987/4885PIM2 3463/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 MAP4K4 1976/4885PIM1 3033/4885PIM2 3662/4885

“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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