SCHEMBL17996267

SCHEMBL17996267

CN1CCN(CCOc2ccc(C(C)(C)C)cc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ RECQL P46063 1/20 0.52
▸ LTA4H P09960 1/20 0.47
▸ HRH4 Q9H3N8 3/20 0.47
▸ HTR1B P28222 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NR1I2 O75469 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL10202587 0.90 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2RECQLLTA4H
SCHEMBL17996265 0.89 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2RECQLLTA4H
SCHEMBL18308986 0.84 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2RECQLHRH4
SCHEMBL14924481 0.82 SMN1; SMN2 (0.57) KDM4EALDH1A1SMN1; SMN2LTA4HHTR1B
SCHEMBL12005829 0.81 TLR7 (0.49) KDM4EALDH1A1SMN1; SMN2LTA4HHTR1B
SCHEMBL20204603 0.80 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2RECQLLTA4H
SCHEMBL8427935 0.80 LTA4H (0.57) KDM4EALDH1A1SMN1; SMN2LTA4HHTR1B
SCHEMBL14924092 0.78 HTT (0.56) KDM4EALDH1A1SMN1; SMN2LTA4HHTR1B
SCHEMBL23291172 0.77 LTA4H (0.55) KDM4EALDH1A1SMN1; SMN2LTA4HHTR1B
SCHEMBL14393402 0.77 LTA4H (0.55) KDM4EALDH1A1LTA4HHTR1BMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2019-04-30 — — US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 — — US disclosed
US-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2018-02-22 — — US disclosed
US-9840517-B2 Compound inhibiting activities of BTK and/or JAK3 kinases Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2017-12-12 — — US disclosed
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES Beijing Hanmi Pharmaceutical Co., Ltd. (CN) 2016-08-11 — — 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 (3 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-20180051036-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 KDM4E 1460/4885ALDH1A1 4749/4885SMN1; SMN2 4340/4885
US-20160229865-A1 COMPOUND INHIBITING ACTIVITIES OF BTK AND/OR JAK3 KINASES BTK, JAK3, JAK2 KDM4E 1460/4885ALDH1A1 4749/4885SMN1; SMN2 4340/4885
US-10273242-B2 Compound inhibiting activities of BTK and/or JAK3 kinases BTK, JAK3, JAK2 KDM4E 1460/4885ALDH1A1 4749/4885SMN1; SMN2 4340/4885

“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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