SCHEMBL20176881

SCHEMBL20176881

Cc1cnc(C(=O)Nc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CNR1 P21554 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
P4HTM Q9NXG6 1/20 0.49
POLB P06746 1/20 0.49
ATR Q13535 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL20176980 0.84 KDM4E (0.55) RAB9ANPC1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL20176883 0.83 NAMPT (0.66) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL14659580 0.82 ATR (0.53) TSHRRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL5958993 0.81 PRKCI (0.59) TSHRRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL7861525 0.81 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL20176870 0.79 NPC1 (0.62) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14659815 0.79 TSHR (0.47) TSHRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL9243475 0.78 HTT (0.55) TSHRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL6228404 0.77 TSHR (0.68) TSHRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL18027790 0.76 KDM4E (0.64) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 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 (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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 TSHR 238/4885RAB9A 895/4885NPC1 1786/4885

“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.