SCHEMBL29998985

SCHEMBL29998985

Nc1ncnc2c1c(-c1ccc(NC(=O)Oc3ccccc3)c(Cl)c1)cn2C1CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.59
▸ RET P07949 1/20 0.59
▸ KIF5B P33176 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ CCDC6 Q16204 1/20 0.59
▸ HCK P08631 12/20 0.57
▸ FLT3 P36888 10/20 0.57
▸ SRC P12931 6/20 0.56
▸ LCK P06239 6/20 0.55
▸ TEK Q02763 6/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ RGS12 O14924 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ GMNN O75496 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ EGFR P00533 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55

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
SCHEMBL23966929 0.90 NEK7 (0.64) HCKFLT3SRCRIPK2
SCHEMBL29484486 0.90 NEK7 (0.64) HCKFLT3SRCRIPK2
SCHEMBL27088118 0.88 RET (0.61) KDRRETKIF5BKCNH2CCDC6
SCHEMBL6460272 0.84 SRC (0.61) KDRRETKIF5BKCNH2CCDC6
Carbamic Acid SCHEMBL7852916 0.83 SRC (0.60) KDRRETKIF5BKCNH2CCDC6
SCHEMBL29999602 0.81 NEK7 (0.56) KDRSRCLCKTEKKDM4E
Hydrochloric Acid SCHEMBL7852175 0.77 SRC (0.52) KDRHCKFLT3SRCLCK
SCHEMBL2074647 0.77 TEK (0.65) KDRRETKIF5BKCNH2CCDC6
SCHEMBL29998988 0.76 RIPK2 (0.69) KDRRETKIF5BKCNH2CCDC6
SCHEMBL23966798 0.76 RIPK2 (0.69) KDRRETKIF5BKCNH2CCDC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317758-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-09-26 — — US disclosed
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 — — 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 (1 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-20240317758-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 KDR 4619/4885RET 2095/4885KIF5B 4791/4885

“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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