SCHEMBL18057528

SCHEMBL18057528

CN1CCCN(C(=O)c2c(NC3CC3)c3ccnnc3n3c2nc2cc(F)c(F)cc23)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.35
▸ MRGPRX2 Q96LB1 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ EHMT1 Q9H9B1 1/20 0.33
▸ PARP1 P09874 4/20 0.33
▸ MELK Q14680 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CCNT1 O60563 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK6 Q00534 1/20 0.32
▸ GFER P55789 2/20 0.32

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
SCHEMBL18057520 0.92 HRH4 (0.37) HRH4MEN1KMT2APARP1KDM4E
SCHEMBL18057547 0.89 PDE4B (0.38) HRH4MRGPRX2PARP1MELKKDM4E
SCHEMBL18057544 0.88 ALDH1A1 (0.39) HRH4KMT2APARP1KDM4E
SCHEMBL18057523 0.87 HRH4 (0.40) HRH4MEN1KMT2APARP1KDM4E
SCHEMBL18057495 0.85 JAK2 (0.37) HRH4MRGPRX2MEN1KMT2AEHMT2
SCHEMBL18057530 0.84 HRH4 (0.36) HRH4MEN1KMT2APARP1KDM4E
SCHEMBL18057491 0.84 MELK (0.34) HRH4MRGPRX2EHMT2EHMT1MELK
SCHEMBL18057517 0.80 PDE4B (0.40) HRH4PARP1KDM4ECDK6
SCHEMBL18057537 0.80 PARP1 (0.40) HRH4KMT2APARP1KDM4E
SCHEMBL18057512 0.78 JAK2 (0.38) HRH4MEN1KMT2APARP1KDM4E

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 HRH4 4586/4885MRGPRX2 1662/4885MEN1 2100/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885MRGPRX2 1441/4885MEN1 3023/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 HRH4 4586/4885MRGPRX2 1662/4885MEN1 2100/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885MRGPRX2 1441/4885MEN1 3023/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 HRH4 4546/4885MRGPRX2 1441/4885MEN1 3023/4885

“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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