SCHEMBL12278916

SCHEMBL12278916

CC(C)c1ccc(F)c2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ P2RX7 Q99572 1/20 0.32
▸ EIF4A3 P38919 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ HTR1D P28221 3/20 0.30
▸ HTR1B P28222 3/20 0.30
▸ BRD4 O60885 1/20 0.30

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
SCHEMBL26830285 0.85 TNF (0.34) TNFRIPK1P2RX7
SCHEMBL18999654 0.84 CCR8 (0.33) P2RX7BRD4
SCHEMBL12278113 0.78 GPR55 (0.39) P2RX7
SCHEMBL12278257 0.77 AHR (0.38) P2RX7BRD4
SCHEMBL29445672 0.77 TNF (0.45) TNFRIPK1P2RX7GPR84HTR1D
SCHEMBL2542070 0.77 TNF (0.45) TNFRIPK1P2RX7GPR84HTR1D
SCHEMBL26077499 0.77 P2RX7 (0.32) TNFRIPK1P2RX7
SCHEMBL21725759 0.76 P2RX7 (0.34) P2RX7BRD4
SCHEMBL19297128 0.76 ACE2 (0.36) P2RX7BRD4
SCHEMBL20156803 0.74 NR3C1 (0.34) TNFRIPK1P2RX7EIF4A3

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
WO-2022268025-A1 ATR INHIBITOR AND USE THEREOF 成都苑东生物制药股份有限公司 2022-12-29 — — WO disclosed
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2021-01-14 — — US disclosed
US-10683294-B2 5-5 fused rings as C5a inhibitors CHEMOCENTRYX, INC. (US) 2020-06-16 — — US disclosed
EP-3053926-B1 FUSED PYRIMIDINE COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR, AND COMPOSITION AND APPLICATION THEREOF SHANGHAI YINGLI PHARM CO LTD (CN) 2018-08-08 — — EP disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 — — US disclosed
US-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-07-12 — — US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 — — 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 (5 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-10683294-B2 5-5 fused rings as C5a inhibitors C5AR1, C5AR2, C3AR1 TNF 839/4885RIPK1 3291/4885P2RX7 202/4885
US-20070161645-A1 Thiazole inhibitors targeting resistant kinase mutations JAK2, ABL1, FLT3 TNF 4163/4885RIPK1 762/4885P2RX7 4081/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 TNF 2513/4885RIPK1 261/4885P2RX7 580/4885
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 TNF 839/4885RIPK1 3291/4885P2RX7 202/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR TNF 4132/4885RIPK1 921/4885P2RX7 4242/4885

“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.

Send feedback