SCHEMBL18554384

SCHEMBL18554384

Oc1nc2cc(Br)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.53
MGAM O43451 1/20 0.49
GAA P10253 1/20 0.49
SI P14410 1/20 0.49
MGAM2 Q2M2H8 1/20 0.49
PPARA Q07869 2/20 0.48
ADORA1 P30542 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43

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
SCHEMBL11067971 0.84 RAB9A (0.53) DYRK1AGAAPPARACYP1A2CYP2C19
SCHEMBL17836733 0.81 DYRK1A (0.53) DYRK1AMGAMGAASIMGAM2
SCHEMBL11162902 0.80 RAB9A (0.47) DYRK1AGAAPPARACYP1A2CYP2C19
SCHEMBL28090972 0.79 CA2 (0.56) DYRK1AGAANPC1RAB9ACA2
SCHEMBL4156994 0.78 PPARA (0.57) DYRK1AMGAMGAASIMGAM2
SCHEMBL2749682 0.76 DYRK1A (0.49) DYRK1AMGAMGAASIMGAM2
SCHEMBL5134299 0.76 SMN1; SMN2 (0.56) MGAMGAASIMGAM2PPARA
SCHEMBL31506530 0.76 DYRK1A (0.49) DYRK1AMGAMGAASIMGAM2
SCHEMBL1850412 0.76 DYRK1A (0.49) DYRK1AMGAMGAASIMGAM2
SCHEMBL3662308 0.76 DYRK1A (0.49) DYRK1AMGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340982-B1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2021-12-15 EP disclosed
US-10807952-B2 Compounds for treatment of immune inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-10-20 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
EP-3340982-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Achillion Pharmaceuticals, Inc. (US) 2018-07-04 EP disclosed
WO-2017035408-A1 COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 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 (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-10807952-B2 Compounds for treatment of immune inflammatory disorders CFD, TFPI, CFH DYRK1A 4819/4885MGAM 2679/4885GAA 3447/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH DYRK1A 4819/4885MGAM 2679/4885GAA 3447/4885

“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.