SCHEMBL18057491

SCHEMBL18057491

CN1CCCN(C(=O)c2c(NC3CC3)c3cncnc3n3c2nc2cc(F)c(F)cc23)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 3/20 0.34
▸ PDE10A Q9Y233 3/20 0.34
▸ HRH4 Q9H3N8 3/20 0.33
▸ MRGPRX2 Q96LB1 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ EHMT2 Q96KQ7 1/20 0.32
▸ EHMT1 Q9H9B1 1/20 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
SCHEMBL18057500 0.91 MTOR (0.36) PDE10AHRH4CYP11B1JAK2JAK3
SCHEMBL18057532 0.88 PARP1 (0.38) PDE10AHRH4PDE4B
SCHEMBL18057547 0.87 PDE4B (0.38) MELKHRH4MRGPRX2PDE4BHRH3
SCHEMBL18057495 0.87 JAK2 (0.37) MELKHRH4MRGPRX2ATRJAK2
SCHEMBL18057542 0.87 HRH4 (0.38) HRH4ATRJAK2JAK3PIK3CA
SCHEMBL18057545 0.84 HRH4 (0.35) HRH4ATRCYP11B1CYP11B2JAK2
SCHEMBL18057528 0.84 HRH4 (0.35) MELKHRH4MRGPRX2CYP11B2CCNT1
SCHEMBL18057517 0.78 PDE4B (0.40) HRH4PDE4BJAK2JAK3HRH3
SCHEMBL18057518 0.78 PARP1 (0.39) PDE10AHRH4
SCHEMBL18057512 0.78 JAK2 (0.38) HRH4ATRJAK2JAK3PIK3CA

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 MELK 4139/4885PDE10A 848/4885HRH4 4586/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 MELK 4006/4885PDE10A 1165/4885HRH4 4546/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 MELK 4139/4885PDE10A 848/4885HRH4 4586/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 MELK 4006/4885PDE10A 1165/4885HRH4 4546/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 MELK 4006/4885PDE10A 1165/4885HRH4 4546/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 MELK 4139/4885PDE10A 848/4885HRH4 4586/4885

“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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