SCHEMBL1918902

SCHEMBL1918902

CCc1nc2cc(Br)cc(C)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.51
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
ADORA3 P0DMS8 4/20 0.40
ADORA2A P29274 3/20 0.40
DDAH1 O94760 1/20 0.40
NQO2 P16083 2/20 0.38
TNKS2 Q9H2K2 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
PARP4 Q9UKK3 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL1918152 0.87 ADORA1 (0.38) ADORA1ADORA3ADORA2ANQO2KMT2A
SCHEMBL31459666 0.85 TDP1 (0.38) ADORA1HTTNQO2KMT2AMEN1
SCHEMBL4363225 0.82 ADORA1 (0.54) ADORA1GAAHTTADORA3ADORA2A
SCHEMBL16801763 0.78 NQO2 (0.42) ADORA1GAAADORA3ADORA2ANQO2
SCHEMBL22101759 0.78 ADORA1 (0.46) ADORA1GAAHTTADORA3ADORA2A
SCHEMBL8847760 0.74 ADORA1 (0.46) ADORA1GAAHTTADORA3ADORA2A
SCHEMBL1918900 0.72 EGLN1 (0.42) ADORA1GAAHTTADORA3ADORA2A
SCHEMBL156057 0.72 CSNK2A2 (0.43) NQO2HTR1DHTR1B
SCHEMBL29521860 0.72 CSNK2A2 (0.43) NQO2HTR1DHTR1B
SCHEMBL3210466 0.72 ADORA1 (0.70) ADORA1GAAHTTADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 EP disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 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 (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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD ADORA1 450/4885GAA 2399/4885HTT 1186/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD ADORA1 450/4885GAA 2399/4885HTT 1186/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD ADORA1 1219/4885GAA 2804/4885HTT 2059/4885

“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.