SCHEMBL18057495

SCHEMBL18057495

CN1CCCN(C(=O)c2c(NC3CC3)c3cnccc3n3c2nc2cc(F)c(F)cc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.37
▸ JAK3 P52333 3/20 0.37
▸ BTK Q06187 3/20 0.36
▸ HRH4 Q9H3N8 5/20 0.35
▸ MRGPRX2 Q96LB1 1/20 0.35
▸ MELK Q14680 3/20 0.34
▸ ATR Q13535 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ EHMT1 Q9H9B1 1/20 0.33
▸ PARP1 P09874 1/20 0.33

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
SCHEMBL18057512 0.91 JAK2 (0.38) JAK2JAK3BTKHRH4ATR
SCHEMBL18057536 0.88 PARP1 (0.38) JAK2JAK3HRH4KMT2APARP1
SCHEMBL18057491 0.87 MELK (0.34) JAK2JAK3HRH4MRGPRX2MELK
SCHEMBL18057531 0.87 HRH4 (0.40) JAK2JAK3BTKHRH4ATR
SCHEMBL18057528 0.85 HRH4 (0.35) HRH4MRGPRX2MELKMEN1KMT2A
SCHEMBL18057547 0.85 PDE4B (0.38) HRH4MRGPRX2MELKPARP1
SCHEMBL18057497 0.84 HRH4 (0.37) JAK2JAK3BTKHRH4MEN1
SCHEMBL18057534 0.79 PARP1 (0.40) JAK2JAK3HRH4KMT2APARP1
SCHEMBL18057500 0.78 MTOR (0.36) JAK2JAK3HRH4MEN1KMT2A
SCHEMBL18057517 0.77 PDE4B (0.40) JAK2JAK3HRH4PARP1

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 JAK2 1732/4885JAK3 2671/4885BTK 2981/4885
US-20180079750-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 JAK2 2706/4885JAK3 3414/4885BTK 3531/4885
US-10745403-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 JAK2 1732/4885JAK3 2671/4885BTK 2981/4885
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 JAK2 2706/4885JAK3 3414/4885BTK 3531/4885
US-20160257678-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 JAK2 2706/4885JAK3 3414/4885BTK 3531/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 JAK2 1732/4885JAK3 2671/4885BTK 2981/4885

“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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