SCHEMBL4346817

SCHEMBL4346817

O=C(NCCc1cccs1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
ATM Q13315 1/20 0.49
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
TTK P33981 3/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.39
PSMD14 O00487 1/20 0.38
STAMBP O95630 1/20 0.38
COPS5 Q92905 1/20 0.38
BRD4 O60885 1/20 0.38
IL1B P01584 1/20 0.38
P2RX7 Q99572 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4329359 0.88 ROCK2 (0.45) TAAR1ROCK2ROCK1TTKRAB9A
SCHEMBL4331947 0.86 NAMPT (0.45) LMNACDK4CCND1NAMPTPSMD14
SCHEMBL4334940 0.85 MAP4K4 (0.48) TTKCDK4CCND1MAPK1
SCHEMBL4348122 0.84 TAAR1 (0.49) TAAR1ATMROCK2ROCK1TTK
SCHEMBL4340944 0.81 DYRK1A (0.38) CDK4CCND1MAPK1
SCHEMBL4340999 0.81 WNT1 (0.51) ATMSMN1; SMN2MAPK1
SCHEMBL4335922 0.81 CYP1A2 (0.41) TAAR1ROCK2ROCK1RAB9ANPC1
SCHEMBL4341026 0.81 TSHR (0.41) TAAR1ROCK2ROCK1RAB9ANPC1
SCHEMBL4339198 0.80 MAPK1 (0.47) TTKLMNACDK4CCND1MAPK1
SCHEMBL2866826 0.77 DYRK1A (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 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 (2 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TAAR1 802/4885ATM 564/4885ROCK2 805/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 TAAR1 802/4885ATM 564/4885ROCK2 805/4885

“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.