SCHEMBL16897931

SCHEMBL16897931

O=C(Cn1ccc2ccccc21)N1CCN(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ TSHR P16473 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.46
▸ CXCR3 P49682 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CDK4 P11802 3/20 0.45
▸ CCND1 P24385 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 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
SCHEMBL12605568 0.85 KMT2A (0.56) KMT2APOLBRECQLHSD17B10L3MBTL1
SCHEMBL12605547 0.80 GRIN2B (0.57) KMT2APOLBKDM4ELMNAALDH1A1
SCHEMBL16897887 0.79 KMT2A (0.52) KMT2AL3MBTL1KDM4ECXCR3LMNA
SCHEMBL16897912 0.78 ALDH1A1 (0.47) KMT2ATSHRDRD2DRD4DRD3
SCHEMBL30063707 0.73 CDK4 (0.76) KMT2ATSHRHSD17B10LMNACDK4
SCHEMBL734246 0.73 CDK4 (0.76) KMT2ATSHRHSD17B10LMNACDK4
SCHEMBL16117855 0.72 KRAS (0.46) KMT2AKDM4ECXCR3
SCHEMBL31672359 0.72 KRAS (0.46) KMT2AKDM4ECXCR3
SCHEMBL3990420 0.72 LMNA (0.61) KMT2ATSHRDRD2DRD4DRD3
SCHEMBL27518021 0.71 CDK4 (0.73) KMT2ATSHRHSD17B10LMNACDK4

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
EP-3091984-B1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2020-04-22 — — EP disclosed
EP-3091984-B1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2020-04-22 — — EP disclosed
US-10611741-B2 Substituted benzoxazine and related compounds THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2020-04-07 — — US disclosed
US-10611741-B2 Substituted benzoxazine and related compounds THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2020-04-07 — — US disclosed
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS NANOSYN INC. 2019-04-11 — — US disclosed
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS NANOSYN INC. 2019-04-11 — — US disclosed
US-10087151-B2 Substituted benzoxazine and related compounds THE J. DAVID GLADSTONE INSTITUTES, A TESTIMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2018-10-02 — — US disclosed
EP-3091984-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-11-16 — — EP disclosed
US-20160326123-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad (US) 2016-11-10 — — US disclosed
US-20160326123-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad (US) 2016-11-10 — — US disclosed
US-20160326123-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS The J. David Gladstone Institutes, a testamentary trust established under the Will of J. David Glad (US) 2016-11-10 — — US disclosed
WO-2015106025-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-07-16 — — WO disclosed
WO-2015106025-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-07-16 — — WO 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 (4 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-20160326123-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS CYP4B1, XDH, UGT2B7 KMT2A 2235/4885TSHR 2505/4885DRD2 2346/4885
US-10611741-B2 Substituted benzoxazine and related compounds ABCG2, XDH, CYP3A5 KMT2A 2162/4885TSHR 3319/4885DRD2 2516/4885
US-20190106394-A1 SUBSTITUTED BENZOXAZINE AND RELATED COMPOUNDS CYP4B1, XDH, UGT2B7 KMT2A 2235/4885TSHR 2505/4885DRD2 2346/4885
US-10087151-B2 Substituted benzoxazine and related compounds CYP4B1, XDH, UGT2B7 KMT2A 2235/4885TSHR 2505/4885DRD2 2346/4885

“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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