SCHEMBL18057533

SCHEMBL18057533

CN1CCCN(C(=O)c2c(N(C)C)c3ccnnc3n3c2nc2ccccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.40
▸ HRH4 Q9H3N8 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ AVPR1B P47901 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ L3MBTL1 Q9Y468 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
SCHEMBL18057549 0.88 PARP1 (0.42) PARP1HRH4KDM4EKMT2AHTT
SCHEMBL18057530 0.88 HRH4 (0.36) PARP1HRH4KDM4EKMT2AHTT
SCHEMBL18057537 0.86 PARP1 (0.40) PARP1HRH4KDM4EKMT2AHTT
SCHEMBL18057489 0.84 PARP1 (0.40) PARP1HRH4KDM4EKMT2AHTT
SCHEMBL18057544 0.83 ALDH1A1 (0.39) PARP1HRH4KDM4EKMT2AHTT
SCHEMBL18057503 0.83 PARP1 (0.39) PARP1HRH4KDM4EKMT2AHTT
SCHEMBL18057513 0.77 PDE4B (0.39) PARP1HRH4KDM4EKMT2AHTT
SCHEMBL18057523 0.76 HRH4 (0.40) PARP1HRH4KDM4EKMT2AMEN1
SCHEMBL18057520 0.74 HRH4 (0.37) PARP1HRH4KDM4EKMT2AMEN1
SCHEMBL18057487 0.74 HRH4 (0.39) HRH4KDM4EKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745403-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-08-18 — — US disclosed
US-10590134-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2020-03-17 — — US disclosed
US-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 — — US disclosed
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 — — US disclosed
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2017-11-23 — — 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-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-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PARP1 168/4885HRH4 4586/4885KDM4E 2323/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PARP1 218/4885HRH4 4546/4885KDM4E 2839/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PARP1 168/4885HRH4 4586/4885KDM4E 2323/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PARP1 218/4885HRH4 4546/4885KDM4E 2839/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PARP1 218/4885HRH4 4546/4885KDM4E 2839/4885

“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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