SCHEMBL18057519

SCHEMBL18057519

CNc1c(C(=O)NCCN(C)C)c2nc3ccccc3n2c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.48
▸ POLR1A O95602 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ IDO1 P14902 4/20 0.46
▸ TDO2 P48775 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAD52 P43351 2/20 0.41
▸ ECE1 P42892 1/20 0.40
▸ MUS81 Q96NY9 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39

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
SCHEMBL18057535 0.91 EGFR (0.48) TP53POLR1AEGFRALDH1A1KDM4E
SCHEMBL18057556 0.89 TP53 (0.44) TP53POLR1AEGFRSRCIDO1
SCHEMBL18057539 0.88 POLR1A (0.42) TP53POLR1AEGFRSRCIDO1
SCHEMBL18057527 0.88 POLR1A (0.43) TP53POLR1AEGFRSRCIDO1
SCHEMBL18057476 0.85 POLR1A (0.43) TP53POLR1AEGFRSRCIDO1
SCHEMBL22348892 0.81 TP53 (0.36) TP53POLR1AEGFRSRCIDO1
SCHEMBL18057498 0.79 EGFR (0.44) TP53POLR1AEGFRALDH1A1KDM4E
SCHEMBL18057526 0.79 EGFR (0.46) TP53POLR1AEGFRALDH1A1KDM4E
SCHEMBL18057508 0.78 EGFR (0.41) TP53POLR1AEGFRALDH1A1KDM4E
SCHEMBL18057546 0.78 POLR1A (0.40) TP53POLR1AEGFRSRCIDO1

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-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 (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 TP53 23/4885POLR1A 1642/4885EGFR 3539/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 TP53 33/4885POLR1A 1475/4885EGFR 3755/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 TP53 33/4885POLR1A 1475/4885EGFR 3755/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 TP53 33/4885POLR1A 1475/4885EGFR 3755/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 TP53 23/4885POLR1A 1642/4885EGFR 3539/4885

“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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