SCHEMBL16681658

SCHEMBL16681658

CCCCCc1cc2ccccc2nn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 7/20 0.54
▸ KCNH2 Q12809 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.43
▸ ABCB11 O95342 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.40

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
SCHEMBL3063629 0.83 KDM4E (0.48) TLR8KCNH2KDM4ELMNACYP1A2
SCHEMBL12737723 0.80 KDM4E (0.50) TLR8KDM4ECYP1A2TDP1MAPT
SCHEMBL3071109 0.77 ALDH1A1 (0.50) TLR8KDM4ELMNACYP1A2TDP1
SCHEMBL3079638 0.77 KDM4E (0.43) TLR8KDM4ELMNACYP1A2CYP2D6
SCHEMBL860157 0.75 KCNH2 (0.58) TLR8KCNH2LMNACYP1A2GPBAR1
SCHEMBL915012 0.75 ABCB11 (0.50) TLR8KCNH2KDM4EABCB11LMNA
SCHEMBL797638 0.74 KCNH2 (0.61) TLR8KCNH2LMNACYP1A2GPBAR1
SCHEMBL5367040 0.74 KCNH2 (0.61) TLR8KCNH2LMNACYP1A2GPBAR1
SCHEMBL3347670 0.74 L3MBTL1 (0.61) TLR8KCNH2ABCB11LMNACYP1A2
SCHEMBL2514450 0.74 KCNH2 (0.61) TLR8KCNH2LMNACYP1A2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9981916-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2018-05-29 — — US disclosed
EP-3066082-B1 5,6,7,8-TETRAHYDRO-5,8-METHANOCINNOLINE DERIVATIVES AS RORC MODULATORS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2017-12-20 — — EP disclosed
EP-3066082-A1 5,6,7,8-TETRAHYDRO-5,8-METHANOCINNOLINE DERIVATIVES AS RORC MODULATORS FOR THE TREATMENT OF AUTOIMMUNE DISEASES F. Hoffmann-La Roche AG (CH) 2016-09-14 — — EP disclosed
WO-2015067575-A1 5,6,7,8-TETRAHYDRO-5,8-METHANOCINNOLINE DERIVATIVES AS RORC MODULATORS FOR THE TREATMENT OF AUTOIMMUNE DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2015-05-14 — — WO disclosed
US-20150126491-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-05-07 — — 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-20150126491-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA TLR8 799/4885KCNH2 1386/4885KDM4E 2727/4885

“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.

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