Sugi Predict

Sugi Predict / Compounds / SCHEMBL4412860

SCHEMBL4412860

SCHEMBL4412860

C1=C(c2c[nH]c3ncccc23)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.51
▸ CLK1 P49759 1/20 0.51
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ TGFBR1 P36897 3/20 0.48
▸ PDPK1 O15530 2/20 0.48
▸ IKBKE Q14164 2/20 0.48
▸ CDK2 P24941 5/20 0.46
▸ CDK9 P50750 4/20 0.46
▸ CCNT1 O60563 3/20 0.46
▸ CCNA2 P20248 3/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ CDC7 O00311 3/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ PIM1 P11309 2/20 0.46

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
SCHEMBL24440670 0.81 HTR2A (0.57) DYRK1AHTR2AHTR2CHTR2BTMEM97
SCHEMBL1848853 0.78 HTR2C (0.61) HTR2AHTR2CHTR2BTMEM97SIGMAR1
SCHEMBL2008363 0.78 HTR2A (0.59) DYRK1AHTR2AHTR2CHTR2BTMEM97
SCHEMBL30509685 0.78 HTR2A (0.59) DYRK1AHTR2AHTR2CHTR2BTMEM97
SCHEMBL1723771 0.78 JAK2 (0.61) DYRK1ACDK2CDK9BRD4CDC7
SCHEMBL5618155 0.77 TGFBR1 (0.71) DYRK1ATGFBR1PDPK1IKBKECDK2
SCHEMBL16719379 0.76 TGFBR1 (0.57) DYRK1AHTR2AHTR2CHTR2BTGFBR1
SCHEMBL12127457 0.75 CDK2 (0.46) DYRK1ACLK1CDK2CDK9CCNT1
SCHEMBL6296691 0.75 DRD2 (0.60) HTR2AHTR2CCDK2HTR1ASLC6A4
SCHEMBL13064304 0.75 TMEM97 (0.59) DYRK1AHTR2AHTR2CHTR2BTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593097-B2 Axl inhibitors PFIZER INC. (US) 2017-03-14 — — US disclosed
US-20160176850-A1 AXL INHIBITORS PFIZER INC. 2016-06-23 — — US disclosed
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE SA (CH) 2016-06-09 — — US disclosed
US-9221812-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2015-12-29 — — US disclosed
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins AC IMMUNE, S.A. (CH) 2011-11-17 — — US disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 — — EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 — — US disclosed
US-7803944-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-28 — — US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 — — US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 — — US disclosed
US-20080206191-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-08-28 — — US disclosed
US-20080206191-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-08-28 — — US disclosed
US-20080206191-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-08-28 — — US disclosed
WO-2008103637-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-28 — — WO disclosed
EP-1891950-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 — — EP disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 — — EP disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 — — US disclosed
US-7157486-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2007-01-02 — — 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 (5 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 DYRK1A 2728/4885CLK1 1968/4885HTR2A 1837/4885
US-20080206191-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 DYRK1A 4880/4885CLK1 4700/4885HTR2A 4583/4885
US-20160176850-A1 AXL INHIBITORS AXL, FLT3, MERTK DYRK1A 822/4885CLK1 2095/4885HTR2A 4110/4885
US-20110280808-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 DYRK1A 4465/4885CLK1 3881/4885HTR2A 2842/4885
US-20160158242-A1 Novel Compounds for the Treatment of Diseases Associated with Amyloid or Amyloid-Like Proteins APP, PSEN1, PSEN2 DYRK1A 4465/4885CLK1 3881/4885HTR2A 2842/4885

“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.