SCHEMBL7787302

SCHEMBL7787302

Cc1c[nH]nc1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ LMNA P02545 5/20 0.46
▸ CCR1 P32246 2/20 0.46
▸ CCR5 P51681 2/20 0.46
▸ CCR8 P51685 2/20 0.46
▸ METAP1 P53582 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ DOHH Q9BU89 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ METAP2 P50579 2/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ TDP1 Q9NUW8 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ TP53 P04637 3/20 0.41

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
SCHEMBL3463943 0.79 KDM4E (0.48) KDM4ENPC1LMNACCR1CCR5
SCHEMBL35341798 0.78 KDM4E (0.46) KDM4ENPC1LMNACCR1CCR5
SCHEMBL3630610 0.78 KDM4E (0.46) KDM4ENPC1LMNACCR1CCR5
SCHEMBL5174023 0.78 KDM4E (0.46) KDM4ENPC1LMNACCR1CCR5
SCHEMBL3579139 0.78 KDM4E (0.46) KDM4ENPC1LMNACCR1CCR5
SCHEMBL5930996 0.78 KDM4E (0.46) KDM4ENPC1LMNACCR1CCR5
SCHEMBL14114318 0.76 CCNT1 (0.39) LRRK2HSP90AA1
SCHEMBL27275747 0.76 CCR1 (0.55) KDM4ENPC1CCR1CCR5CCR8
SCHEMBL27628474 0.75 TGFBR1 (0.49) KDM4ENPC1LMNACCR1CCR5
SCHEMBL10921322 0.74 KDM4E (0.46) KDM4ENPC1LMNACCR1CCR5

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-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2023-04-20 — — US disclosed
US-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2023-01-10 — — US disclosed
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same LEGOCHEM BIOSCIENCES, INC. (KR) 2021-03-30 — — US disclosed
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-12-31 — — US disclosed
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LIGACHEM BIOSCIENCES INC. (KR) 2020-06-04 — — US disclosed
WO-2014059333-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-04-17 — — WO disclosed
EP-0759429-B1 Substituted trifluormethylpyridines useful as intermediates for herbicidal 1-(pyridyl)-pyrazoles BASF AG (DE) 2001-10-24 — — EP 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-11548883-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 KDM4E 3095/4885NPC1 414/4885LMNA 4301/4885
US-20230123569-A1 COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, PLA2G10, LPCAT1 KDM4E 3095/4885NPC1 414/4885LMNA 4301/4885
US-10961242-B2 Compounds as autotaxin inhibitors and pharmaceutical compositions comprising the same ENPP2, PLA2G10, LPCAT1 KDM4E 3095/4885NPC1 414/4885LMNA 4301/4885
US-20200407350-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 KDM4E 3034/4885NPC1 374/4885LMNA 3974/4885
US-20200172542-A1 NOVEL COMPOUNDS AS AUTOTAXIN INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME ENPP2, LPCAT1, PLA2G10 KDM4E 3034/4885NPC1 374/4885LMNA 3974/4885

“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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