SCHEMBL1803433

SCHEMBL1803433

O=C(Nc1cncc2[nH]c3ccc(Cl)cc3c12)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 4/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ PARP14 Q460N5 2/20 0.38
▸ CCKBR P32239 1/20 0.37
▸ UTS2R Q9UKP6 1/20 0.37
▸ PDK1 Q15118 2/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ PDK3 Q15120 2/20 0.36
▸ PDK4 Q16654 2/20 0.36
▸ ICOSLG O75144 1/20 0.35
▸ ICOS Q9Y6W8 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ PTK6 Q13882 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL1798318 0.81 CHUK (0.44) CHUKJAK2TP53MAPTHTT
SCHEMBL1799670 0.78 CHUK (0.52) CHUKJAK2TP53MAPTHTT
SCHEMBL1800325 0.75 CHUK (0.67) CHUKICOSLGICOS
SCHEMBL29307516 0.73 F7 (0.51) PDK1PDK2PDK3PDK4
SCHEMBL1797764 0.72 ICOSLG (0.49) CHUKJAK2TP53MAPTHTT
SCHEMBL1798677 0.72 CHUK (0.55) CHUKCYP1A2
SCHEMBL1799540 0.69 CHUK (0.55) CHUKTP53UTS2RCYP1A2RAB9A
SCHEMBL1799095 0.69 CHUK (0.55) CHUKCYP1A2
SCHEMBL28091743 0.67 PDK1 (0.69) MAPTPDK1PDK2PDK3PDK4
SCHEMBL1139376 0.66 PDK1 (0.51) CHUKPDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 — — EP disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 — — US disclosed
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 — — US disclosed
EP-1735311-B1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2010-03-31 — — EP disclosed
EP-1735311-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-12-27 — — EP disclosed
WO-2005111037-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-24 — — WO disclosed
US-20050239781-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2005-10-27 — — US disclosed
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2004-11-25 — — 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 (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-20050239781-A1 Beta-carbolines useful for treating inflammatory disease IL1B, IL1A, ADRA2B CHUK 439/4885JAK2 488/4885TP53 1398/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 CHUK 6/4885JAK2 202/4885TP53 1553/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG CHUK 8/4885JAK2 173/4885TP53 986/4885

“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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