SCHEMBL18057397

SCHEMBL18057397

CN(C)CCNc1ccc2cc(C(C)(C)O)c3nc4ccccc4n3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ CASP7 P55210 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ HSP90AA1 P07900 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ ATM Q13315 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL23160995 0.86 KDM4E (0.41) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL18057402 0.86 ALDH1A1 (0.36) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL20078424 0.84 MKNK1 (0.43) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL18057399 0.82 KDM4E (0.38) KDM4EKMT2AALDH1A1POLBATM
SCHEMBL18205761 0.82 KDM4E (0.42) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL18057403 0.81 ALDH1A1 (0.45) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL18057405 0.81 ALDH1A1 (0.51) KDM4ECASP1CASP7TSHRALDH1A1
SCHEMBL17255009 0.80 KDM4E (0.54) KDM4EKMT2AMEN1CASP1CASP7
SCHEMBL18057401 0.80 POLR1A (0.38) KDM4ECASP1CASP7TSHRALDH1A1
SCHEMBL17255077 0.80 KDM4E (0.46) KDM4EKMT2AMEN1CASP1CASP7

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 13 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-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-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2018-03-22 — — 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 (7 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 KDM4E 2839/4885KMT2A 4568/4885MEN1 3023/4885
US-10590134-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885KMT2A 4232/4885MEN1 2100/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885KMT2A 4568/4885MEN1 3023/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885KMT2A 4232/4885MEN1 2100/4885
US-20200361937-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885KMT2A 4568/4885MEN1 3023/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885KMT2A 4568/4885MEN1 3023/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 KDM4E 2323/4885KMT2A 4232/4885MEN1 2100/4885

“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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