SCHEMBL18057476

SCHEMBL18057476

CNc1c(C(=O)NCCN(C)C)c2nc3ccccc3n2c2ccncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLR1A O95602 2/20 0.43
▸ EGFR P00533 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ECE1 P42892 1/20 0.39
▸ MUS81 Q96NY9 1/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ TDO2 P48775 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ CSNK2A2 P19784 2/20 0.38
▸ CSNK2B P67870 2/20 0.38
▸ CSNK2A1 P68400 2/20 0.38
▸ CSNK2A3 Q8NEV1 1/20 0.38

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
SCHEMBL18057507 0.91 EGFR (0.45) POLR1AEGFRKDM4EALDH1A1GAA
SCHEMBL18057525 0.89 POLR1A (0.40) POLR1AEGFRSRCKDM4EALDH1A1
SCHEMBL18057539 0.86 POLR1A (0.42) POLR1AEGFRSRCKDM4EALDH1A1
SCHEMBL18057519 0.85 TP53 (0.48) POLR1AEGFRSRCKDM4EALDH1A1
SCHEMBL18057527 0.84 POLR1A (0.43) POLR1AEGFRSRCKDM4EALDH1A1
SCHEMBL21466266 0.82 KDM4E (0.33) POLR1AEGFRSRCKDM4EALDH1A1
SCHEMBL18057499 0.80 KDM4E (0.37) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL30287966 0.79 POLR1A (0.48) POLR1AKDM4EALDH1A1ECE1MUS81
SCHEMBL17255011 0.79 POLR1A (0.48) POLR1AKDM4EALDH1A1ECE1MUS81
SCHEMBL18057509 0.78 KDM4E (0.38) POLR1AEGFRKDM4EALDH1A1GAA

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 POLR1A 1642/4885EGFR 3539/4885SRC 2376/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 POLR1A 1475/4885EGFR 3755/4885SRC 2636/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 POLR1A 1642/4885EGFR 3539/4885SRC 2376/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 POLR1A 1475/4885EGFR 3755/4885SRC 2636/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 POLR1A 1475/4885EGFR 3755/4885SRC 2636/4885

“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.

Send feedback