SCHEMBL8737617

SCHEMBL8737617

C=C(C)Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.58
ESR1 P03372 2/20 0.54
CYP19A1 P11511 2/20 0.54
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
CYP2A6 P11509 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRNA7 P36544 2/20 0.47
TBXAS1 P24557 1/20 0.46
HRH1 P35367 1/20 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
SCHEMBL4682021 0.83 NAPRT (0.62) NAPRTESR1CYP19A1TDP1L3MBTL1
SCHEMBL8235696 0.82 NAPRT (0.66) NAPRTESR1CYP19A1CYP1A2CYP3A4
SCHEMBL48669 0.80 NAPRT (0.69) NAPRTESR1CYP19A1CYP1A2CYP3A4
SCHEMBL25905487 0.80 NAPRT (0.58) NAPRTESR1CYP19A1TDP1L3MBTL1
SCHEMBL29611658 0.80 NAPRT (0.69) NAPRTESR1CYP19A1CYP1A2CYP3A4
SCHEMBL9522811 0.79 TDP1 (0.61) ESR1CYP19A1TDP1L3MBTL1CYP2A6
Hydrochloric Acid SCHEMBL1978920 0.78 NAPRT (0.67) NAPRTESR1CYP19A1CYP1A2CYP3A4
SCHEMBL8565414 0.78 NAPRT (0.56) NAPRTESR1CYP19A1TDP1L3MBTL1
SCHEMBL29262861 0.78 NAPRT (0.56) NAPRTESR1CYP19A1CYP1A2CYP3A4
SCHEMBL10744051 0.77 NAPRT (0.55) NAPRTESR1CYP19A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474545-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-07-11 EP disclosed
EP-2455382-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2012-05-23 EP disclosed
US-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-05-12 US disclosed
EP-1586571-B1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP 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-20110112098-A1 MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES SYK, BTK, TYRO3 NAPRT 2019/4885ESR1 3528/4885CYP19A1 2616/4885

“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.