SCHEMBL14979221

SCHEMBL14979221

O=C(O)Cc1n[nH]c2cc(F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 11/20 0.54
MAPK1 P28482 1/20 0.54
MAPK6 Q16659 1/20 0.54
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.47
MAP2K7 O14733 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
GSK3B P49841 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
ITK Q08881 1/20 0.40
AGBL2 Q5U5Z8 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
SCHEMBL14979246 0.88 TSHR (0.54) MAP2K4MAPK1MAPK6LMNATSHR
SCHEMBL30965223 0.88 TSHR (0.54) MAP2K4MAPK1MAPK6LMNATSHR
SCHEMBL14564411 0.81 MAPT (0.49) MAP2K4MAPK1MAPK6LMNAMAP2K7
SCHEMBL6612568 0.81 GSK3B (0.56) MAP2K4MAPK1LMNAPTGS2GSK3B
SCHEMBL28776089 0.81 PDPK1 (0.51) LMNAGSK3BABL1BCR
SCHEMBL14979217 0.80 SMN1; SMN2 (0.55) MAP2K4MAPK1MAPK6LMNAGSK3B
SCHEMBL5953156 0.80 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAP2K7ITK
SCHEMBL462088 0.77 LMNA (0.68) MAP2K4MAPK1MAPK6LMNA
SCHEMBL29651055 0.77 LMNA (0.68) MAP2K4MAPK1MAPK6LMNA
SCHEMBL19570332 0.77 MAP2K4 (0.51) MAP2K4MAPK1MAPK6MAP2K7ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408064-A1 RAS INHIBITORS, COMPOSITIONS AND METHODS OF USE THEREOF GENETOLEAD INC. (CA) 2024-12-12 US disclosed
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B9 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2019-08-21 EP disclosed
EP-2781508-B1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO LTD (CN) 2018-12-12 EP disclosed
US-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 US disclosed
EP-2752410-B1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO (JP) 2016-08-31 EP disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
US-9233098-B2 Nitrogen-containing fused ring compounds as CRTH2 antagonists KBP BIOSCIENCES CO., LTD. (CN) 2016-01-12 US disclosed
CN-105073741-A Phthalazinones and isoquinolinones as rock inhibitors BRISTOL MYERS SQUIBB CO 2015-11-18 CN disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS KBP BIOSCIENCES CO., LTD. (CN) 2014-10-09 US disclosed
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed
EP-2781508-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS KBP Biosciences Co., Ltd. (CN) 2014-09-24 EP disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 US disclosed
EP-2752410-A1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi & Co., Ltd. (JP) 2014-07-09 EP disclosed
WO-2013071880-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS FOR USE AS CRTH2 ANTAGONISTS 山东亨利医药科技有限责任公司 (CN) 2013-05-23 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-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 MAP2K4 2710/4885MAPK1 1480/4885MAPK6 1527/4885
US-20140303186-A1 NITROGEN-CONTAINING FUSED RING COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, NR3C2 MAP2K4 1653/4885MAPK1 1852/4885MAPK6 2792/4885
US-20240408064-A1 RAS INHIBITORS, COMPOSITIONS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS MAP2K4 666/4885MAPK1 85/4885MAPK6 193/4885

“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.