Sugi Predict

Sugi Predict / Compounds / SCHEMBL2120922

SCHEMBL2120922

SCHEMBL2120922

NCc1cc(-c2ccccn2)no1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.62
▸ CYP2E1 P05181 1/20 0.54
▸ CYP2A6 P11509 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2B6 P20813 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ CA12 O43570 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ LMNA P02545 3/20 0.48
▸ CCR1 P32246 3/20 0.48
▸ CCR5 P51681 3/20 0.48
▸ CCR8 P51685 3/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ METAP1 P53582 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ DOHH Q9BU89 1/20 0.48
▸ P4HTM Q9NXG6 1/20 0.48

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
SCHEMBL3981044 0.89 NOTUM (0.71) NOTUMCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL26527466 0.83 CA12 (0.49) NOTUMCA12CA9KDM4ELMNA
SCHEMBL1314692 0.83 NOTUM (0.62) NOTUMCA12CA9KDM4ELMNA
SCHEMBL8938531 0.83 CA12 (0.49) NOTUMCA12CA9KDM4ELMNA
SCHEMBL9901587 0.83 CA12 (0.49) NOTUMCA12CA9KDM4ELMNA
SCHEMBL31434715 0.83 NOTUM (0.62) NOTUMCA12CA9KDM4ELMNA
SCHEMBL4010234 0.80 NOTUM (0.58) NOTUMCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL9902305 0.80 CA12 (0.47) NOTUMCA12CA9KDM4ELMNA
SCHEMBL9901314 0.80 CA12 (0.47) NOTUMCA12CA9KDM4ELMNA
SCHEMBL6705331 0.79 CA12 (0.49) NOTUMCYP2C9CYP2C19CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216798-A2 KETOLIDE COMPOUNDS Wockhardt Limited (IN) 2017-09-13 — — EP disclosed
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 — — US disclosed
US-7579349-B2 4-(pyrazol-3-ylamino) pyrimidine derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-25 — — US disclosed
EP-1678169-B1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-07-22 — — EP disclosed
US-20090131463-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2009-05-21 — — US disclosed
US-7521453-B2 e.g. 5-Bromo-2-(3-methylisoxazol-5-ylmethylamino)-4-(5-cyclopropyl- 1H-pyrazol-3-ylamino)pyrimidine; anticarcinogenic, antitumor agents; breast, prostate, colon cancer ASTRAZENECA AB (SE) 2009-04-21 — — US disclosed
EP-1456182-B1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2009-03-11 — — EP disclosed
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity ASTRAZENECA AB (SE) 2007-02-15 — — US disclosed
EP-1678169-A1 4-(PYRAZOL-3-YLAMINO)PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2006-07-12 — — EP disclosed
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide SDS BIOTECH K.K. (JP) 2005-08-04 — — US disclosed
CN-1617858-A Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-1) ASTRAZENECA AB (SE) 2005-05-18 — — CN disclosed
WO-2005040159-A1 4-(PYRAZOL-3-YLAMINO) PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2005-05-06 — — WO disclosed
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) ASTRAZENECA AB 2005-03-10 — — US disclosed
EP-1456182-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) AstraZeneca AB (SE) 2004-09-15 — — EP disclosed
US-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 — — US disclosed
WO-2003048133-A1 PYRIMIDINE DERIVATIVES AS MODULATORS OF INSULINE-LIKE GROWTH FACTOR-1 RECEPTOR (IGF-I) ASTRAZENECA AB (SE) 2003-06-12 — — 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 (6 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-20090131463-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 NOTUM 4030/4885CYP2E1 990/4885CYP2A6 138/4885
US-20040014687-A1 Macrolide antibacterial compounds MRPL21, NOP2, PIGS NOTUM 981/4885CYP2E1 342/4885CYP2A6 122/4885
US-20050171358-A1 Substituted isoxazole alkylamine derivative and agri-and horticultural fungicide AHR, ERG28, CYP1A2 NOTUM 755/4885CYP2E1 58/4885CYP2A6 312/4885
US-20070037888-A1 anticarcinogenic agent 5-Chloro-2-{2-[3-(pyrid-2-yl)isoxazol-5-yl]pyrrolidin-1-yl}-4-(5-methyl-1H-pyrazol-3-ylamino)pyrimidine; chemical synthesis; use in modulating insulin-like growth factor 1 receptor activity IGF1R, IGFBP1, GPR119 NOTUM 3660/4885CYP2E1 1420/4885CYP2A6 2525/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 NOTUM 4030/4885CYP2E1 990/4885CYP2A6 138/4885
US-20050054638-A1 Pyrimidine derivatives as modulators of insulin-like growth factor-1 receptor (igf-i) IGF1R, IGFBP1, INSR NOTUM 4781/4885CYP2E1 4120/4885CYP2A6 2421/4885

“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.