SCHEMBL18159819

SCHEMBL18159819

COc1cncc(-c2ccc3nc4n(c3c2)C(c2ccccc2)CC4)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.43
CYP11B2 P19099 8/20 0.43
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
NPM1 P06748 1/20 0.39
ALK Q9UM73 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX7 Q99572 2/20 0.38
PIK3CG P48736 2/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
METAP2 P50579 1/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNB3 Q05901 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL18151253 0.89 CYP11B1 (0.43) CYP11B1CYP11B2PIK3CGCHRNB1CHRNB2
SCHEMBL18151541 0.86 PIK3CB (0.40) CYP11B1CYP11B2P2RX7GSK3B
SCHEMBL18150993 0.84 CYP11B1 (0.41) CYP11B1CYP11B2GSK3B
SCHEMBL16814799 0.82 P2RX7 (0.44) P2RX7PIK3CG
SCHEMBL18151397 0.82 PIK3CB (0.44) CYP11B1CYP11B2PIK3CGALDH1A1
SCHEMBL18150724 0.82 CYP11B2 (0.47) CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL18151456 0.79 TNF (0.41) CYP11B1CYP11B2P2RX7PIK3CGGSK3B
SCHEMBL18151489 0.78 ATM (0.41)
SCHEMBL18151377 0.77 PRMT5 (0.36)
SCHEMBL18153237 0.77 TNF (0.39) P2RX7GSK3B

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
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 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 (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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 CYP11B1 415/4885CYP11B2 430/4885CYP1A2 972/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 CYP11B1 415/4885CYP11B2 430/4885CYP1A2 972/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 CYP11B1 415/4885CYP11B2 430/4885CYP1A2 972/4885

“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.