SCHEMBL18057544

SCHEMBL18057544

CN1CCCN(C(=O)c2c(NC3CC3)c3ccnnc3n3c2nc2ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HRH4 Q9H3N8 3/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ PROKR1 Q8TCW9 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL18057537 0.91 PARP1 (0.40) ALDH1A1PARP1KMT2AKDM4EHTT
SCHEMBL18057554 0.89 PARP1 (0.41) PARP1KMT2AKDM4EHTTNPSR1
SCHEMBL18057528 0.88 HRH4 (0.35) PARP1KMT2AKDM4EHRH4
SCHEMBL18057536 0.84 PARP1 (0.38) ALDH1A1PARP1KMT2AKDM4EHTT
SCHEMBL18057532 0.84 PARP1 (0.38) ALDH1A1PARP1KMT2AKDM4EHTT
SCHEMBL18057533 0.83 PARP1 (0.40) PARP1KMT2AKDM4EHTTNPSR1
SCHEMBL18057540 0.80 POLR1A (0.41) ALDH1A1KMT2AKDM4EHTTNPSR1
SCHEMBL18057520 0.79 HRH4 (0.37) PARP1KMT2AKDM4EHRH4
SCHEMBL18057547 0.78 PDE4B (0.38) PARP1KDM4EHTTNPSR1HRH4
SCHEMBL18057466 0.78 EZH2 (0.38) ALDH1A1KMT2AKDM4EHRH4

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 10 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-10442801-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2019-10-15 — — 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 (6 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 ALDH1A1 3165/4885PARP1 168/4885KMT2A 4232/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885PARP1 218/4885KMT2A 4568/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 ALDH1A1 3165/4885PARP1 168/4885KMT2A 4232/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885PARP1 218/4885KMT2A 4568/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 ALDH1A1 3544/4885PARP1 218/4885KMT2A 4568/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 ALDH1A1 3165/4885PARP1 168/4885KMT2A 4232/4885

“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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