SCHEMBL2598144

SCHEMBL2598144

O=S(=O)(c1ccccc1B(O)O)C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
GABRA1 P14867 1/20 0.43
TSHR P16473 1/20 0.43
GABRG2 P18507 1/20 0.43
NFKB1 P19838 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRA6 Q16445 1/20 0.43
CXCR2 P25025 7/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTR6 P50406 6/20 0.35
HTR2C P28335 1/20 0.33
CTSB P07858 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL3403350 0.89 CTSB (0.38) CYP3A4TSHRHTR2CCTSB
SCHEMBL13164007 0.79 HTR6 (0.49) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL17308384 0.76 CTSB (0.55) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL3223437 0.76 HTR6 (0.47) CYP3A4CXCR2HTR6HTR2C
SCHEMBL18343910 0.76 CA1 (0.41) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL8481331 0.76 HTR6 (0.47) LMNACYP3A4GABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL10666439 0.74 HTR6 (0.46) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL8482221 0.74 CA1 (0.54) LMNATSHRCXCR2
SCHEMBL8484443 0.73 HTR6 (0.50) HTR6
SCHEMBL5668214 0.73 CHRM1 (0.40) LMNACYP3A4GABRA1TSHRGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744172-B2 Pyrazolopyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-08-29 US disclosed
US-9555030-B2 Therapeutic uses of selected pyrazolopyrimidine compounds with anti-Mer tyrosine kinase activity THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-01-31 US disclosed
US-20160279132-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-29 US disclosed
US-9290499-B2 Pyrazolopyrimidine compounds for the treatment of cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-03-22 US disclosed
US-20150290212-A1 THERAPEUTIC USES OF SELECTED PYRAZOLOPYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-15 US disclosed
WO-2015157125-A1 THERAPUETIC USES OF SELECTED PYRAZOLOPYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2015-10-15 WO disclosed
EP-2571361-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER The University of North Carolina At Chapel Hill (US) 2013-03-27 EP disclosed
US-20130059836-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-03-07 US disclosed
WO-2011146313-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-11-24 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 (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-20160279132-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER DPYD, TP53, TYMP LMNA 3796/4885CYP3A4 82/4885GABRA1 3828/4885
US-20150290212-A1 THERAPEUTIC USES OF SELECTED PYRAZOLOPYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY MERTK, TK1, FLT3 LMNA 4516/4885CYP3A4 2494/4885GABRA1 3744/4885
US-20130059836-A1 PYRAZOLOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER DPYD, TYMP, TP53 LMNA 3810/4885CYP3A4 104/4885GABRA1 3759/4885

“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.