SCHEMBL2200862

SCHEMBL2200862

COc1cc(OC)cc(C2OCCO2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A1 P04798 3/20 0.38
CYP1B1 Q16678 3/20 0.38
CYP19A1 P11511 1/20 0.37
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2E1 P05181 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C8 P10632 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2A6 P11509 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP4B1 P13584 2/20 0.34
CYP2B6 P20813 2/20 0.34
CYP3A5 P20815 2/20 0.34
CYP2A7 P20853 2/20 0.34
CYP3A7 P24462 2/20 0.34

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
SCHEMBL7822134 0.92 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ACYP1A1CYP1B1
SCHEMBL2201853 0.88 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ACYP1A1CYP1B1
SCHEMBL2201604 0.87 CYP3A4 (0.39) ALDH1A1NPC1RAB9ACYP1A1CYP1B1
SCHEMBL16803093 0.86 KDM1A (0.40) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL11258618 0.82 NPC1 (0.38) ALDH1A1NPC1RAB9ACYP19A1HPGD
SCHEMBL18063537 0.80 HTR2C (0.51) NPC1RAB9ACYP19A1KMT2AHTR2C
SCHEMBL15709396 0.80 CHRM1 (0.34) ALDH1A1NPC1RAB9AHPGDKMT2A
SCHEMBL4723773 0.78 MAOA (0.48) NPC1RAB9AHPGDKMT2AHTR2C
SCHEMBL8992843 0.75 BRD4 (0.39) ALDH1A1NPC1RAB9AKMT2ACYP3A4
SCHEMBL6347223 0.75 NPC1 (0.33) ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846402-B1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 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 (1 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-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents MAP4K2, ABL1, MAP4K3 ALDH1A1 2786/4885NPC1 4778/4885RAB9A 1269/4885

“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.