SCHEMBL5324352

SCHEMBL5324352

[CH2]n1ccnc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
CHEK1 O14757 2/20 0.41
LIMK1 P53667 2/20 0.41
MAPK14 Q16539 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDR P35968 9/20 0.41
PRKACA P17612 2/20 0.40
CDK8 P49336 2/20 0.40
MAP2K1 Q02750 2/20 0.40
ACVR1 Q04771 2/20 0.40
ROCK1 Q13464 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
KMT2A Q03164 2/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
MAP4K2 Q12851 1/20 0.40
DYRK1A Q13627 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
SCHEMBL27549719 0.81 HPGD (0.40) KDM4EALDH1A1MAPTTDP1KDR
SCHEMBL5192672 0.77 ESR1 (0.49) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL18419722 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL1263722 0.74 ESR1 (0.50) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL4482636 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL786747 0.74 HDAC4 (0.52) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL19065614 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL6440778 0.74 KMT2A (0.50) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL5533567 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E
SCHEMBL28038136 0.74 ESR1 (0.46) ESR1CHEK1LIMK1MAPK14KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
CN-107921144-B Aureostatin analogs and conjugate conjugates thereof with cell-binding molecules 杭州多禧生物科技有限公司 2023-11-28 CN disclosed
CN-116726190-A Aureostatin analogs and conjugate conjugates thereof with cell-binding molecules 杭州多禧生物科技有限公司 2023-09-12 CN disclosed
CN-107921144-A Auristatin analogs and conjugates thereof with cell-binding molecules 杭州多禧生物科技有限公司 2018-04-17 CN disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
US-6514988-B1 A pregnancy controlling agent and a menstrual cycle controlling agent; useful as an agent of spawning promotion in fish TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-04 US disclosed
US-6187788-B1 THIENO(2,3-B)(DIHYDRO)PYRIDINE DERIVATIVES; GONADOTROPIN-RELEASING HORMONE ANTAGONISTS; ANTICARCINOGENIC AGENTS; SEXUAL AND UROGENITAL DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
US-6180792-B1 DRUGS, ANTISECRETORY AGENTS AND HORMONE INHIBITORS FOR LH-RH TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-30 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 (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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 ESR1 4728/4885CHEK1 3421/4885LIMK1 2788/4885

“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.