SCHEMBL561022

SCHEMBL561022

Cc1cccc(CNC2=NCCN2)c1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NLRP3 Q96P20 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ APOBEC3A P31941 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ ADRA2A P08913 5/20 0.50
▸ ADRA2B P18089 4/20 0.50
▸ ADRA2C P18825 4/20 0.50
▸ ADRA1A P35348 2/20 0.50
▸ ADRA1D P25100 1/20 0.50
▸ ADRA1B P35368 1/20 0.50
▸ WDR5 P61964 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ KDM4C Q9H3R0 1/20 0.43
▸ PTGIR P43119 1/20 0.43
▸ HTR7 P34969 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
SCHEMBL560664 0.88 LMNA (0.56) HTR1DSMN1; SMN2NLRP3LMNAGAA
SCHEMBL8148008 0.86 LMNA (0.52) HTR1DSMN1; SMN2NLRP3LMNAGAA
SCHEMBL10022889 0.86 LMNA (0.62) HTR1DSMN1; SMN2NLRP3LMNAGAA
SCHEMBL8146712 0.86 SMN1; SMN2 (0.53) HTR1DSMN1; SMN2NLRP3LMNAGAA
SCHEMBL8139996 0.86 HTR1D (0.52) HTR1DSMN1; SMN2NLRP3LMNAGAA
SCHEMBL12139511 0.77 WDR5 (0.47) HTR1DSMN1; SMN2NLRP3LMNAGAA
SCHEMBL13063071 0.77 LMNA (0.64) SMN1; SMN2NLRP3LMNAGAAAPOBEC3A
SCHEMBL560655 0.77 ADRA2A (0.55) SMN1; SMN2NLRP3LMNAGAAAPOBEC3A
SCHEMBL560405 0.76 LMNA (0.71) SMN1; SMN2NLRP3LMNAGAAAPOBEC3A
SCHEMBL560777 0.76 LMNA (0.56) SMN1; SMN2NLRP3LMNAGAAAPOBEC3A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303264-B1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS USING IMIDAZOLINE DERIVATIVES ALLERGAN INC (US) 2018-04-04 — — EP claimed
US-20150224080-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. 2015-08-13 — — US claimed
US-9034910-B2 Methods of treating alpha adrenergic mediated conditions ALLERGAN, INC. (US) 2015-05-19 — — US claimed
US-20120165380-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2012-06-28 — — US claimed
US-20120035235-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2012-02-09 — — US claimed
US-8071636-B2 Methods of treating alpha adrenergic mediated conditions ALLERGAN, INC. (US) 2011-12-06 — — US claimed
CN-102099032-A Methods of treating alpha adrenergic mediated conditions ALLERGAN INC 2011-06-15 — — CN claimed
EP-2303264-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS Allergan, Inc. (US) 2011-04-06 — — EP claimed
WO-2009152052-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-17 — — WO claimed
US-20090306161-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — US claimed
US-20230062049-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. 2023-03-02 — — US disclosed
US-20230062049-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. 2023-03-02 — — US disclosed
US-20200330428-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN INC (US) 2020-10-22 — — US disclosed
US-20200330428-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN INC (US) 2020-10-22 — — US disclosed
US-20180344692-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN INC (US) 2018-12-06 — — US disclosed
US-20090306398-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — US disclosed
US-20090306161-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — US disclosed
US-20090306161-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — US disclosed
US-20090306161-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — US disclosed
US-20090306398-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ALLERGAN, INC. (US) 2009-12-10 — — 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 (8 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-20090306161-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2C, ADRA2A HTR1D 222/4885SMN1; SMN2 1109/4885NLRP3 3311/4885
US-20230062049-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2A, ADRA2C HTR1D 230/4885SMN1; SMN2 508/4885NLRP3 3439/4885
US-20150224080-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2A, ADRA2C HTR1D 230/4885SMN1; SMN2 508/4885NLRP3 3439/4885
US-20090306398-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2C, ADRA2A HTR1D 222/4885SMN1; SMN2 1109/4885NLRP3 3311/4885
US-20120035235-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2C, ADRA2A HTR1D 222/4885SMN1; SMN2 1109/4885NLRP3 3311/4885
US-20200330428-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2A, ADRA2C HTR1D 230/4885SMN1; SMN2 508/4885NLRP3 3439/4885
US-20180344692-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2A, ADRA2C HTR1D 230/4885SMN1; SMN2 508/4885NLRP3 3439/4885
US-20120165380-A1 METHODS OF TREATING ALPHA ADRENERGIC MEDIATED CONDITIONS ADRB2, ADRA2A, ADRA2C HTR1D 230/4885SMN1; SMN2 508/4885NLRP3 3439/4885

“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.

Send feedback